#\#CIF_1.1 # CIF produced by WinGX routine CIF_UPDATE # Created on 2014-02-03 at 19:09:47 # Using CIFtbx version 2.6.2 16 Jun 1998 # Dictionary name : cif_core.dic # Dictionary vers : 2.4 # Request file : c:\wingx\files\acta.reqdat # CIF files read : 6297010101_pnnm(58) #------------------ SECTION 1. GLOBAL INFORMATION ---------------------------# data_global #------------------ AUDIT DETAILS -------------------------------------------# _audit_creation_date 2014-02-03 _audit_creation_method 'WinGX routine CIF_UPDATE' _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.4 _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_update_record ? # PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # # SUBMISSION DETAILS _publ_contact_author_name 'Dr. Shiro, Funahashi' # Name of author for correspondence _publ_contact_author_address ;Department of Chemistry University of Anywhere Sometown Somewhere, UK ; # Address of author for correspondence _publ_contact_author_email FUNAHASHI.Shiro@nims.go.jp _publ_contact_author_fax '00(000)0000000' _publ_contact_author_phone '00(000)0000000' _publ_contact_letter ; Submission dated :2014-02-03 Please consider this CIF submission for publication in Acta Cryst. Section C. I certify that all authors have seen and approved of this submission, that all have made significant scientific contributions to the work reported, and that all share responsibility and accountability for the results. The CIF has passed the Chester CHECKCIF routines and all possible Alerts have been responded to. The CIF also gives a satisfactory PRINTCIF file. When you reply by e-mail with your reference number I will return the Copyright Transfer Form. The Structure Factor Listing (in CIF format) and any artwork (Schemes, Figures) as HPGL, PostScript, TIFF or encapsulated PostScript files will be transferred to Chester by ftp as instructed in Notes for Authors 1.9. Bloggs, Joe J. ; _publ_requested_journal 'Acta Cryst C' _publ_requested_category FI #============================================================================== # # TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_footnote _publ_author_address 'Funahashi, Shiro' ? ; National Instutute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan ; 'Michiue, Yuichi' ? ; National Instutute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan ; 'Takeda, Takashi' ? ; National Instutute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan ; 'Xie, Rong-Jun' ? ; National Instutute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan ; 'Hirosaki, Naoto' ? ; National Instutute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan ; #============================================================================== # # TEXT _publ_section_synopsis ; ? ; # A synopsis (< 40 words) in place of the ? character is REQUIRED for # inorganic structure papers in Acta Cryst C. # _publ_section_abstract ; ? ; # Replace the ? character with a concise structurally-informative abstract # The abstract should state the formula and systematic compound name if not # already in the title. It should also report any crystallographic symmetry # (not 1) required of the structure by the space group. Do not give crystal # data here. # ----------------------------------------------------------------------------- _publ_section_comment ; ? ; # For Acta C submissions, replace the ? character with an informative Comment # section which provides significant added value to the numerical data freely # available in the CIF. # _publ_section_acknowledgements ; ? ; # Replace the ? character with any acknowledgements. # _publ_section_related_literature ; ? ; _publ_section_references ; # # Put here all your general crystallographic references # Unecessary ones can be deleted from the document CIF # Bruker (2007) APEX2 (Version 2.1-4), SAINT (version 7.34A), SADABS (version 2007/4), BrukerAXS Inc, Madison, Wisconsin, USA. Flack H. D. & Bernardinelli, G. (1999). Acta Cryst. A55, 908-915. Flack H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. 33, 1143-1148. JANA2000: Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic. PLATON: Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13. SADABS, TWINABS: Bruker (2001). Program name. Bruker AXS Inc., Madison, Wisconsin, USA. or Sheldrick, G. M. (1996). Program name. University of Göttingen, Germany. SHELX Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122. SUPERFLIP Palatinus, L. & Chapuis, G. (2007) J. Appl. Cryst. 40, 786-790. WinGX: Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838. ; # List of references should be in alphabetical sequence with one blank # line between each reference. See Notes for Authors for full # specifications as to how references should be presented. # Scattering-factor references are not needed here # ----------------------------------------------------------------------------- _publ_section_figure_captions ; ? ; # Replace the '?" character with e.g. # "Fig. 1. A view of (1). Displacement ellipsoids are drawn at the 30% # probability level." # ----------------------------------------------------------------------------- _publ_section_table_legends ; ? ; # Replace the '?" character with e.g. # "Table 1. Selected geometric parameters (\%A, \%) for compound (1)." # # "Table 2. Hydrogen-bond parameters (\%A, \%) for compound (1)." # # ----------------------------------------------------------------------------- _publ_section_exptl_prep ; ? ; # Replace the ? character with concise details including reagent quantities # and reaction conditions of compound preparation. A reference may suffice, # but do give sufficient brief details if the method is unpublished or # deviates from a published method. Also give the crystallisation procedure # and solvent(s). This is a good place to give any physical details such as # analytical and supportive spectroscopic data, and melting point if known. # Long lists of spectroscopic data should not be given here but should be # placed in the _exptl_special_details section of the CIF. # ----------------------------------------------------------------------------- _publ_section_exptl_refinement ; ? ; # Replace the ? character with concise details of any UNUSUAL aspects of the # data collection and structure analysis. # If H atoms were not treated as "constrained", details of how they were # allowed for and range of refined X-H distances MUST be given here. For # constrained X-H distances, report the ranges of the various X-H dimensions # and treatment of U(H). # Routine statements about data collection and processing, structure # solution methods or anisotropic refinement should NOT be given here # (this information is generated automatically from other details in the # CIF). # Note that if RESTRAINTS are used in the refinement, concise details # of what these were should either be given here or in the # _refinement_special # #------------------ SECTION 2. COMPOUND(S) DETAILS -------------------------# data_6297010101_pnnm(58) _audit_creation_date 2014-02-03T19:09:47-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' #============================================================================== # CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_formula_sum 'Al7 Ba4.75 Eu0.25 N25 Si11' _chemical_formula_weight 1538.41 #============================================================================== # CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_name_H-M_alt 'P n n m' _space_group_name_Hall '-P 2 2n' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z' '-x-1/2, y-1/2, z-1/2' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 9.5928(2) _cell_length_b 21.3991(5) _cell_length_c 5.8889(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1208.85(9) _cell_formula_units_Z 2 _cell_measurement_temperature 299(2) _exptl_crystal_description 'rectangular pillar ' _exptl_crystal_colour 'clear yellow' _exptl_crystal_size_max 0.06 _exptl_crystal_size_mid 0.005 _exptl_crystal_size_min 0.005 _exptl_crystal_density_diffrn 4.226 _exptl_crystal_F_000 1403.5 _exptl_absorpt_coefficient_mu 9.131 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.948 _exptl_absorpt_correction_T_max 0.957 _exptl_absorpt_process_details ; SADABS Sheldrick 2001 ; #============================================================================== # EXPERIMENTAL DATA _exptl_special_details ; ? ; _diffrn_ambient_temperature 299(2) _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Bruker TXS fine-focus rotating anode' _diffrn_radiation_monochromator 'Bruker Helios multilayer confocal mirror' _diffrn_measurement_device_type 'Bruker APEXII CCD area detector' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 8.333 _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_number 27481 _diffrn_reflns_av_R_equivalents 0.0455 _diffrn_reflns_theta_min 1.903 _diffrn_reflns_theta_max 35.033 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 1 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 1 _diffrn_reflns_point_group_measured_fraction_ful 0.999 _diffrn_reflns_point_group_measured_fraction_max 1 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -34 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 9 #============================================================================== # STRUCTURE SOLUTION #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 2889 _reflns_number_gt 2420 _reflns_threshold_expression 'I > 2\s(I)' _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_R_factor_all 0.0353 _refine_ls_R_factor_gt 0.0244 _refine_ls_wR_factor_ref 0.0535 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.052 _refine_ls_number_reflns 2889 _refine_ls_number_parameters 132 _refine_ls_number_restraints 0 _refine_ls_hydrogen_treatment undef _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+3.3458P] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0 _refine_diff_density_max 3.455 _refine_diff_density_min -2.65 _refine_diff_density_rms 0.203 _refine_ls_extinction_method none loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _computing_data_collection 'APEX2 (Bruker AXS, 2009)' _computing_cell_refinement 'APEX2 (Bruker AXS, 2009)' _computing_data_reduction 'SAINT (Bruker AXS, 2009)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XSHEL (Bruker AXS,2002), VESTA (Momma and Izumi, 2008)' _computing_publication_material ? #============================================================================== # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Ba1 0.41564(2) 0.34264(2) 0.5 0.01121(5) Uani d 0.95 . . Ba Ba2 0.79034(3) 0.39208(2) 0.5 0.01828(6) Uani d 0.95 . . Ba Ba3 1 0.5 0 0.03805(14) Uani d 0.95 . . Ba Eu1 0.41564(2) 0.34264(2) 0.5 0.01121(5) Uani d 0.05 . . Eu Eu2 0.79034(3) 0.39208(2) 0.5 0.01828(6) Uani d 0.05 . . Eu Eu3 1 0.5 0 0.03805(14) Uani d 0.05 . . Eu Si1 0.55083(10) 0.39370(4) 0 0.00403(15) Uani d 0.6111 . . Si Si2 0.22020(11) 0.38886(5) 0 0.00840(17) Uani d 0.6111 . . Si Si3 0.11764(10) 0.43589(5) 0.5 0.00557(16) Uani d 0.6111 . . Si Si4 0.28278(10) 0.20807(4) 0.5 0.00452(16) Uani d 0.6111 . . Si Si5 0.07340(7) 0.30125(3) 0.25365(11) 0.00525(12) Uani d 0.6111 . . Si Si6 0.34398(11) 0.26504(5) 0 0.00665(17) Uani d 0.6111 . . Si Si7 0.37537(7) 0.48606(3) 0.24506(12) 0.00658(12) Uani d 0.6111 . . Si Al1 0.55083(10) 0.39370(4) 0 0.00403(15) Uani d 0.3889 . . Al Al2 0.22020(11) 0.38886(5) 0 0.00840(17) Uani d 0.3889 . . Al Al3 0.11764(10) 0.43589(5) 0.5 0.00557(16) Uani d 0.3889 . . Al Al4 0.28278(10) 0.20807(4) 0.5 0.00452(16) Uani d 0.3889 . . Al Al5 0.07340(7) 0.30125(3) 0.25365(11) 0.00525(12) Uani d 0.3889 . . Al Al6 0.34398(11) 0.26504(5) 0 0.00665(17) Uani d 0.3889 . . Al Al7 0.37537(7) 0.48606(3) 0.24506(12) 0.00658(12) Uani d 0.3889 . . Al N1 0.1554(3) 0.26920(14) 0.5 0.0091(5) Uani d 1 . . N N2 0.3968(3) 0.34725(14) 0 0.0089(5) Uani d 1 . . N N3 0 0.5 0.5 0.0148(9) Uani d 1 . . N N4 0.1065(2) 0.38423(11) 0.2587(4) 0.0125(4) Uani d 1 . . N N5 0.5364(2) 0.44072(10) 0.7580(4) 0.0087(3) Uani d 1 . . N N6 0.2767(3) 0.47234(14) 0 0.0090(5) Uani d 1 . . N N7 0.2864(3) 0.47186(15) 0.5 0.0105(5) Uani d 1 . . N N8 0.3929(2) 0.22054(10) 0.2543(4) 0.0097(4) Uani d 1 . . N N9 0.7115(4) 0.36319(17) 0 0.0190(7) Uani d 1 . . N N10 0.1539(3) 0.27463(17) 0 0.0130(6) Uani d 1 . . N loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba1 0.01734(10) 0.00922(9) 0.00709(8) -0.00434(7) 0 0 Ba2 0.01253(10) 0.01022(9) 0.03210(14) 0.00172(8) 0 0 Ba3 0.0286(2) 0.0755(4) 0.00999(15) 0.0385(2) 0 0 Eu1 0.01734(10) 0.00922(9) 0.00709(8) -0.00434(7) 0 0 Eu2 0.01253(10) 0.01022(9) 0.03210(14) 0.00172(8) 0 0 Eu3 0.0286(2) 0.0755(4) 0.00999(15) 0.0385(2) 0 0 Si1 0.0046(4) 0.0035(3) 0.0039(4) 0.0004(3) 0 0 Si2 0.0086(4) 0.0096(4) 0.0070(4) 0.0002(3) 0 0 Si3 0.0057(4) 0.0054(4) 0.0056(4) 0.0000(3) 0 0 Si4 0.0047(4) 0.0049(4) 0.0039(4) -0.0008(3) 0 0 Si5 0.0050(3) 0.0066(3) 0.0042(3) -0.0012(2) 0.0000(2) 0.0005(2) Si6 0.0074(4) 0.0069(4) 0.0056(4) 0.0003(3) 0 0 Si7 0.0069(3) 0.0069(3) 0.0060(3) -0.0006(2) 0.0005(2) 0.0001(2) Al1 0.0046(4) 0.0035(3) 0.0039(4) 0.0004(3) 0 0 Al2 0.0086(4) 0.0096(4) 0.0070(4) 0.0002(3) 0 0 Al3 0.0057(4) 0.0054(4) 0.0056(4) 0.0000(3) 0 0 Al4 0.0047(4) 0.0049(4) 0.0039(4) -0.0008(3) 0 0 Al5 0.0050(3) 0.0066(3) 0.0042(3) -0.0012(2) 0.0000(2) 0.0005(2) Al6 0.0074(4) 0.0069(4) 0.0056(4) 0.0003(3) 0 0 Al7 0.0069(3) 0.0069(3) 0.0060(3) -0.0006(2) 0.0005(2) 0.0001(2) N1 0.0110(13) 0.0093(12) 0.0071(12) 0.0015(10) 0 0 N2 0.0091(12) 0.0063(11) 0.0112(12) -0.0006(9) 0 0 N3 0.012(2) 0.020(2) 0.012(2) 0.0043(17) 0 0 N4 0.0165(10) 0.0130(10) 0.0080(9) -0.0034(8) -0.0008(7) 0.0000(7) N5 0.0118(9) 0.0091(8) 0.0052(8) -0.0005(7) -0.0007(7) 0.0003(7) N6 0.0087(12) 0.0062(11) 0.0120(13) -0.0023(10) 0 0 N7 0.0093(12) 0.0107(13) 0.0115(13) -0.0020(11) 0 0 N8 0.0083(9) 0.0116(9) 0.0092(9) 0.0000(7) 0.0006(7) -0.0009(7) N9 0.0107(14) 0.0129(14) 0.033(2) 0.0047(12) 0 0 N10 0.0080(13) 0.0233(16) 0.0078(13) 0.0031(12) 0 0 #============================================================================== # MOLECULAR GEOMETRY _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ba1 N5 . 2.838(2) ? Ba1 N5 6_556 2.838(2) ? Ba1 N1 . 2.950(3) ? Ba1 N2 1_556 2.9517(2) ? Ba1 N2 . 2.9517(2) ? Ba1 N8 . 2.995(2) ? Ba1 N8 6_556 2.995(2) ? Ba1 N7 . 3.030(3) ? Ba1 Si4 . 3.1493(10) ? Ba1 Si1 . 3.3979(5) ? Ba2 N7 5_666 3.003(3) ? Ba2 N8 3 3.003(2) ? Ba2 N8 8_666 3.003(2) ? Ba2 N5 . 3.054(2) ? Ba2 N5 6_556 3.054(2) ? Ba2 N3 1_655 3.0624(2) ? Ba2 N9 1_556 3.1022(12) ? Ba2 N9 . 3.1022(12) ? Ba2 Al3 1_655 3.2768(10) ? Ba2 Si3 1_655 3.2768(10) ? Ba2 N4 6_656 3.354(2) ? Ba2 N4 1_655 3.354(2) ? Ba3 N6 5_665 2.719(3) ? Ba3 N6 1_655 2.719(3) ? Ba3 N3 1_655 2.9445 ? Ba3 N3 1_654 2.9445 ? Ba3 N4 6_655 3.083(2) ? Ba3 N4 2_665 3.083(2) ? Ba3 N4 5_665 3.083(2) ? Ba3 N4 1_655 3.083(2) ? Ba3 Al2 5_665 3.1809(10) ? Ba3 Si2 1_655 3.1809(10) ? Ba3 Si2 5_665 3.1809(10) ? Ba3 Al2 1_655 3.1809(10) ? Si1 N9 . 1.674(4) ? Si1 N5 6_556 1.750(2) ? Si1 N5 1_554 1.750(2) ? Si1 N2 . 1.781(3) ? Si1 Ba1 1_554 3.3979(5) ? Si1 Eu1 1_554 3.3979(5) ? Si1 Ba2 1_554 3.7351(6) ? Si2 N6 . 1.867(3) ? Si2 N4 6 1.876(2) ? Si2 N4 . 1.876(2) ? Si2 N2 . 1.914(3) ? Si2 Si5 . 2.7801(11) ? Si2 Al5 6 2.7802(11) ? Si2 Si5 6 2.7802(11) ? Si2 Eu3 1_455 3.1809(10) ? Si2 Ba3 1_455 3.1809(10) ? Si3 N3 . 1.7764(10) ? Si3 N7 . 1.793(3) ? Si3 N4 6_556 1.803(2) ? Si3 N4 . 1.804(2) ? Si3 Eu2 1_455 3.2768(10) ? Si3 Ba2 1_455 3.2768(10) ? Si3 Eu3 1_456 3.4388(5) ? Si3 Ba3 1_456 3.4388(5) ? Si3 Eu3 1_455 3.4388(5) ? Si3 Ba3 1_455 3.4388(5) ? Si4 N9 3_455 1.671(4) ? Si4 N1 . 1.790(3) ? Si4 N8 6_556 1.812(2) ? Si4 N8 . 1.812(2) ? Si4 Ba2 3_455 3.6425(6) ? Si4 Eu2 3_455 3.6425(6) ? Si4 Eu2 3_456 3.6425(6) ? Si4 Ba2 3_456 3.6425(6) ? Si5 N10 . 1.7752(19) ? Si5 N1 . 1.7873(19) ? Si5 N8 3_455 1.793(2) ? Si5 N4 . 1.804(2) ? Si5 Al5 6_556 2.9015(13) ? Si5 Eu2 1_455 3.6408(7) ? Si5 Ba2 1_455 3.6408(7) ? Si5 Ba1 3_455 3.7421(7) ? Si6 N2 . 1.831(3) ? Si6 N8 6 1.836(2) ? Si6 N8 . 1.836(2) ? Si6 N10 . 1.835(3) ? Si6 Eu2 3_455 3.4012(10) ? Si6 Ba2 3_455 3.4012(10) ? Si6 Eu1 1_554 3.4497(5) ? Si6 Ba1 1_554 3.4497(5) ? Si7 N6 . 1.7508(18) ? Si7 N7 . 1.7534(18) ? Si7 N5 5_666 1.781(2) ? Si7 N5 6_556 1.824(2) ? Si7 Al7 2_665 2.4643(14) ? Si7 Si7 2_665 2.4643(14) ? Si7 Al7 6 2.8863(14) ? Si7 Eu2 5_666 3.4032(7) ? Si7 Ba2 5_666 3.4032(7) ? N1 Al5 6_556 1.7873(19) ? N1 Si5 6_556 1.7873(19) ? N2 Eu1 1_554 2.9517(2) ? N2 Ba1 1_554 2.9517(2) ? N3 Al3 5_566 1.7763(10) ? N3 Si3 5_566 1.7763(10) ? N3 Eu3 1_456 2.9445 ? N3 Ba3 1_455 2.9445 ? N3 Ba3 1_456 2.9445 ? N3 Eu3 1_455 2.9445 ? N3 Ba2 1_455 3.0625(2) ? N3 Eu2 5_666 3.0625(2) ? N3 Eu2 1_455 3.0625(2) ? N3 Ba2 5_666 3.0625(2) ? N4 Eu3 1_455 3.083(2) ? N4 Ba3 1_455 3.083(2) ? N4 Ba2 1_455 3.354(2) ? N5 Al1 1_556 1.750(2) ? N5 Si1 1_556 1.750(2) ? N5 Al7 5_666 1.781(2) ? N5 Si7 5_666 1.781(2) ? N5 Al7 6_556 1.824(2) ? N5 Si7 6_556 1.824(2) ? N6 Al7 6 1.7508(18) ? N6 Si7 6 1.7508(18) ? N6 Ba3 1_455 2.719(3) ? N6 Eu3 1_455 2.719(3) ? N7 Al7 6_556 1.7534(17) ? N7 Si7 6_556 1.7534(17) ? N7 Eu2 5_666 3.003(3) ? N7 Ba2 5_666 3.003(3) ? N8 Al5 3 1.793(2) ? N8 Si5 3 1.793(2) ? N8 Ba2 3_455 3.003(2) ? N8 Eu2 3_455 3.003(2) ? N9 Al4 3 1.671(4) ? N9 Si4 3 1.671(4) ? N9 Eu2 1_554 3.1022(12) ? N9 Ba2 1_554 3.1022(12) ? N10 Al5 6 1.7752(19) ? N10 Si5 6 1.7752(19) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N5 Ba1 N5 64.73(8) . 6_556 ? N5 Ba1 N1 137.68(6) . . ? N5 Ba1 N1 137.68(6) 6_556 . ? N5 Ba1 N2 57.74(7) . 1_556 ? N5 Ba1 N2 122.30(7) 6_556 1_556 ? N1 Ba1 N2 88.05(6) . 1_556 ? N5 Ba1 N2 122.30(7) . . ? N5 Ba1 N2 57.74(7) 6_556 . ? N1 Ba1 N2 88.05(6) . . ? N2 Ba1 N2 172.00(12) 1_556 . ? N5 Ba1 N8 158.99(6) . . ? N5 Ba1 N8 114.59(6) 6_556 . ? N1 Ba1 N8 58.24(6) . . ? N2 Ba1 N8 120.44(7) 1_556 . ? N2 Ba1 N8 62.78(7) . . ? N5 Ba1 N8 114.59(6) . 6_556 ? N5 Ba1 N8 158.99(6) 6_556 6_556 ? N1 Ba1 N8 58.24(6) . 6_556 ? N2 Ba1 N8 62.78(7) 1_556 6_556 ? N2 Ba1 N8 120.44(7) . 6_556 ? N8 Ba1 N8 57.79(8) . 6_556 ? N5 Ba1 N7 59.48(6) . . ? N5 Ba1 N7 59.48(6) 6_556 . ? N1 Ba1 N7 98.05(8) . . ? N2 Ba1 N7 86.82(6) 1_556 . ? N2 Ba1 N7 86.82(6) . . ? N8 Ba1 N7 140.03(6) . . ? N8 Ba1 N7 140.03(6) 6_556 . ? N5 Ba1 Si4 147.29(4) . . ? N5 Ba1 Si4 147.29(4) 6_556 . ? N1 Ba1 Si4 33.93(6) . . ? N2 Ba1 Si4 90.33(6) 1_556 . ? N2 Ba1 Si4 90.33(6) . . ? N8 Ba1 Si4 34.18(4) . . ? N8 Ba1 Si4 34.18(4) 6_556 . ? N7 Ba1 Si4 131.98(6) . . ? N5 Ba1 Si1 94.04(5) . . ? N5 Ba1 Si1 30.97(4) 6_556 . ? N1 Ba1 Si1 119.623(15) . . ? N2 Ba1 Si1 151.29(6) 1_556 . ? N2 Ba1 Si1 31.59(6) . . ? N8 Ba1 Si1 83.66(4) . . ? N8 Ba1 Si1 136.64(5) 6_556 . ? N7 Ba1 Si1 82.11(3) . . ? Si4 Ba1 Si1 116.646(15) . . ? N7 Ba2 N8 149.13(4) 5_666 3 ? N7 Ba2 N8 149.13(4) 5_666 8_666 ? N8 Ba2 N8 59.82(8) 3 8_666 ? N7 Ba2 N5 58.26(6) 5_666 . ? N8 Ba2 N5 141.53(6) 3 . ? N8 Ba2 N5 106.67(6) 8_666 . ? N7 Ba2 N5 58.26(6) 5_666 6_556 ? N8 Ba2 N5 106.67(6) 3 6_556 ? N8 Ba2 N5 141.54(6) 8_666 6_556 ? N5 Ba2 N5 59.67(8) . 6_556 ? N7 Ba2 N3 55.25(6) 5_666 1_655 ? N8 Ba2 N3 112.95(4) 3 1_655 ? N8 Ba2 N3 112.95(4) 8_666 1_655 ? N5 Ba2 N3 105.48(4) . 1_655 ? N5 Ba2 N3 105.48(4) 6_556 1_655 ? N7 Ba2 N9 97.67(7) 5_666 1_556 ? N8 Ba2 N9 113.16(8) 3 1_556 ? N8 Ba2 N9 56.41(8) 8_666 1_556 ? N5 Ba2 N9 53.22(7) . 1_556 ? N5 Ba2 N9 110.22(7) 6_556 1_556 ? N3 Ba2 N9 108.08(7) 1_655 1_556 ? N7 Ba2 N9 97.67(7) 5_666 . ? N8 Ba2 N9 56.41(8) 3 . ? N8 Ba2 N9 113.16(8) 8_666 . ? N5 Ba2 N9 110.22(7) . . ? N5 Ba2 N9 53.22(7) 6_556 . ? N3 Ba2 N9 108.08(7) 1_655 . ? N9 Ba2 N9 143.30(13) 1_556 . ? N7 Ba2 Al3 87.57(6) 5_666 1_655 ? N8 Ba2 Al3 85.16(4) 3 1_655 ? N8 Ba2 Al3 85.16(4) 8_666 1_655 ? N5 Ba2 Al3 131.82(4) . 1_655 ? N5 Ba2 Al3 131.82(4) 6_556 1_655 ? N3 Ba2 Al3 32.320(17) 1_655 1_655 ? N9 Ba2 Al3 106.89(6) 1_556 1_655 ? N9 Ba2 Al3 106.89(6) . 1_655 ? N7 Ba2 Si3 87.57(6) 5_666 1_655 ? N8 Ba2 Si3 85.16(4) 3 1_655 ? N8 Ba2 Si3 85.16(4) 8_666 1_655 ? N5 Ba2 Si3 131.82(4) . 1_655 ? N5 Ba2 Si3 131.82(4) 6_556 1_655 ? N3 Ba2 Si3 32.320(17) 1_655 1_655 ? N9 Ba2 Si3 106.89(6) 1_556 1_655 ? N9 Ba2 Si3 106.89(6) . 1_655 ? Al3 Ba2 Si3 0.00(3) 1_655 1_655 ? N7 Ba2 N4 105.68(7) 5_666 6_656 ? N8 Ba2 N4 82.80(6) 3 6_656 ? N8 Ba2 N4 56.78(6) 8_666 6_656 ? N5 Ba2 N4 121.86(6) . 6_656 ? N5 Ba2 N4 161.68(6) 6_556 6_656 ? N3 Ba2 N4 56.21(4) 1_655 6_656 ? N9 Ba2 N4 78.95(7) 1_556 6_656 ? N9 Ba2 N4 127.78(7) . 6_656 ? Al3 Ba2 N4 31.54(4) 1_655 6_656 ? Si3 Ba2 N4 31.54(4) 1_655 6_656 ? N7 Ba2 N4 105.68(7) 5_666 1_655 ? N8 Ba2 N4 56.78(6) 3 1_655 ? N8 Ba2 N4 82.80(6) 8_666 1_655 ? N5 Ba2 N4 161.68(6) . 1_655 ? N5 Ba2 N4 121.86(6) 6_556 1_655 ? N3 Ba2 N4 56.21(4) 1_655 1_655 ? N9 Ba2 N4 127.78(7) 1_556 1_655 ? N9 Ba2 N4 78.95(7) . 1_655 ? Al3 Ba2 N4 31.54(4) 1_655 1_655 ? Si3 Ba2 N4 31.54(4) 1_655 1_655 ? N4 Ba2 N4 50.14(8) 6_656 1_655 ? N6 Ba3 N6 180 5_665 1_655 ? N6 Ba3 N3 90 5_665 1_655 ? N6 Ba3 N3 90 1_655 1_655 ? N6 Ba3 N3 90 5_665 1_654 ? N6 Ba3 N3 90 1_655 1_654 ? N3 Ba3 N3 180 1_655 1_654 ? N6 Ba3 N4 119.90(7) 5_665 6_655 ? N6 Ba3 N4 60.10(7) 1_655 6_655 ? N3 Ba3 N4 119.62(4) 1_655 6_655 ? N3 Ba3 N4 60.38(4) 1_654 6_655 ? N6 Ba3 N4 60.10(7) 5_665 2_665 ? N6 Ba3 N4 119.90(7) 1_655 2_665 ? N3 Ba3 N4 60.38(4) 1_655 2_665 ? N3 Ba3 N4 119.62(4) 1_654 2_665 ? N4 Ba3 N4 180 6_655 2_665 ? N6 Ba3 N4 60.10(7) 5_665 5_665 ? N6 Ba3 N4 119.90(7) 1_655 5_665 ? N3 Ba3 N4 119.62(4) 1_655 5_665 ? N3 Ba3 N4 60.38(4) 1_654 5_665 ? N4 Ba3 N4 120.76(8) 6_655 5_665 ? N4 Ba3 N4 59.24(8) 2_665 5_665 ? N6 Ba3 N4 119.90(7) 5_665 1_655 ? N6 Ba3 N4 60.10(7) 1_655 1_655 ? N3 Ba3 N4 60.38(4) 1_655 1_655 ? N3 Ba3 N4 119.62(4) 1_654 1_655 ? N4 Ba3 N4 59.24(8) 6_655 1_655 ? N4 Ba3 N4 120.76(8) 2_665 1_655 ? N4 Ba3 N4 180.00(5) 5_665 1_655 ? N6 Ba3 Al2 35.81(6) 5_665 5_665 ? N6 Ba3 Al2 144.19(6) 1_655 5_665 ? N3 Ba3 Al2 90 1_655 5_665 ? N3 Ba3 Al2 90 1_654 5_665 ? N4 Ba3 Al2 145.18(4) 6_655 5_665 ? N4 Ba3 Al2 34.82(4) 2_665 5_665 ? N4 Ba3 Al2 34.82(4) 5_665 5_665 ? N4 Ba3 Al2 145.18(4) 1_655 5_665 ? N6 Ba3 Si2 144.19(6) 5_665 1_655 ? N6 Ba3 Si2 35.81(6) 1_655 1_655 ? N3 Ba3 Si2 90 1_655 1_655 ? N3 Ba3 Si2 90 1_654 1_655 ? N4 Ba3 Si2 34.82(4) 6_655 1_655 ? N4 Ba3 Si2 145.18(4) 2_665 1_655 ? N4 Ba3 Si2 145.18(4) 5_665 1_655 ? N4 Ba3 Si2 34.82(4) 1_655 1_655 ? Al2 Ba3 Si2 180 5_665 1_655 ? N6 Ba3 Si2 35.81(6) 5_665 5_665 ? N6 Ba3 Si2 144.19(6) 1_655 5_665 ? N3 Ba3 Si2 90 1_655 5_665 ? N3 Ba3 Si2 90 1_654 5_665 ? N4 Ba3 Si2 145.18(4) 6_655 5_665 ? N4 Ba3 Si2 34.82(4) 2_665 5_665 ? N4 Ba3 Si2 34.82(4) 5_665 5_665 ? N4 Ba3 Si2 145.18(4) 1_655 5_665 ? Al2 Ba3 Si2 0.00(3) 5_665 5_665 ? Si2 Ba3 Si2 180 1_655 5_665 ? N6 Ba3 Al2 144.19(6) 5_665 1_655 ? N6 Ba3 Al2 35.81(6) 1_655 1_655 ? N3 Ba3 Al2 90 1_655 1_655 ? N3 Ba3 Al2 90 1_654 1_655 ? N4 Ba3 Al2 34.82(4) 6_655 1_655 ? N4 Ba3 Al2 145.18(4) 2_665 1_655 ? N4 Ba3 Al2 145.18(4) 5_665 1_655 ? N4 Ba3 Al2 34.82(4) 1_655 1_655 ? Al2 Ba3 Al2 180 5_665 1_655 ? Si2 Ba3 Al2 0.00(3) 1_655 1_655 ? Si2 Ba3 Al2 180 5_665 1_655 ? N9 Si1 N5 107.28(11) . 6_556 ? N9 Si1 N5 107.28(11) . 1_554 ? N5 Si1 N5 109.04(15) 6_556 1_554 ? N9 Si1 N2 123.12(17) . . ? N5 Si1 N2 104.79(10) 6_556 . ? N5 Si1 N2 104.79(10) 1_554 . ? N9 Si1 Ba1 103.07(6) . . ? N5 Si1 Ba1 56.56(7) 6_556 . ? N5 Si1 Ba1 149.35(9) 1_554 . ? N2 Si1 Ba1 60.255(16) . . ? N9 Si1 Ba1 103.07(6) . 1_554 ? N5 Si1 Ba1 149.35(9) 6_556 1_554 ? N5 Si1 Ba1 56.56(7) 1_554 1_554 ? N2 Si1 Ba1 60.254(16) . 1_554 ? Ba1 Si1 Ba1 120.12(3) . 1_554 ? N9 Si1 Eu1 103.07(6) . 1_554 ? N5 Si1 Eu1 149.35(9) 6_556 1_554 ? N5 Si1 Eu1 56.56(7) 1_554 1_554 ? N2 Si1 Eu1 60.254(16) . 1_554 ? Ba1 Si1 Eu1 120.12(3) . 1_554 ? Ba1 Si1 Eu1 0.000(10) 1_554 1_554 ? N9 Si1 Ba2 55.24(4) . . ? N5 Si1 Ba2 53.99(7) 6_556 . ? N5 Si1 Ba2 134.11(8) 1_554 . ? N2 Si1 Ba2 120.35(4) . . ? Ba1 Si1 Ba2 63.170(6) . . ? Ba1 Si1 Ba2 156.20(3) 1_554 . ? Eu1 Si1 Ba2 156.20(3) 1_554 . ? N9 Si1 Ba2 55.24(4) . 1_554 ? N5 Si1 Ba2 134.11(8) 6_556 1_554 ? N5 Si1 Ba2 53.99(7) 1_554 1_554 ? N2 Si1 Ba2 120.35(4) . 1_554 ? Ba1 Si1 Ba2 156.20(3) . 1_554 ? Ba1 Si1 Ba2 63.171(6) 1_554 1_554 ? Eu1 Si1 Ba2 63.171(6) 1_554 1_554 ? Ba2 Si1 Ba2 104.06(2) . 1_554 ? N6 Si2 N4 102.67(9) . 6 ? N6 Si2 N4 102.67(9) . . ? N4 Si2 N4 108.59(15) 6 . ? N6 Si2 N2 100.86(14) . . ? N4 Si2 N2 119.33(9) 6 . ? N4 Si2 N2 119.33(9) . . ? N6 Si2 Si5 142.40(5) . . ? N4 Si2 Si5 96.10(8) 6 . ? N4 Si2 Si5 39.97(7) . . ? N2 Si2 Si5 97.74(8) . . ? N6 Si2 Al5 142.40(5) . 6 ? N4 Si2 Al5 39.97(7) 6 6 ? N4 Si2 Al5 96.10(8) . 6 ? N2 Si2 Al5 97.74(8) . 6 ? Si5 Si2 Al5 65.00(4) . 6 ? N6 Si2 Si5 142.40(5) . 6 ? N4 Si2 Si5 39.97(7) 6 6 ? N4 Si2 Si5 96.10(8) . 6 ? N2 Si2 Si5 97.74(8) . 6 ? Si5 Si2 Si5 65.00(4) . 6 ? Al5 Si2 Si5 0.00(3) 6 6 ? N6 Si2 Eu3 58.49(10) . 1_455 ? N4 Si2 Eu3 69.73(8) 6 1_455 ? N4 Si2 Eu3 69.73(8) . 1_455 ? N2 Si2 Eu3 159.34(10) . 1_455 ? Si5 Si2 Eu3 99.66(3) . 1_455 ? Al5 Si2 Eu3 99.66(3) 6 1_455 ? Si5 Si2 Eu3 99.66(3) 6 1_455 ? N6 Si2 Ba3 58.49(10) . 1_455 ? N4 Si2 Ba3 69.73(8) 6 1_455 ? N4 Si2 Ba3 69.73(8) . 1_455 ? N2 Si2 Ba3 159.34(10) . 1_455 ? Si5 Si2 Ba3 99.66(3) . 1_455 ? Al5 Si2 Ba3 99.66(3) 6 1_455 ? Si5 Si2 Ba3 99.66(3) 6 1_455 ? Eu3 Si2 Ba3 0 1_455 1_455 ? N3 Si3 N7 104.02(11) . . ? N3 Si3 N4 115.84(8) . 6_556 ? N7 Si3 N4 108.46(10) . 6_556 ? N3 Si3 N4 115.84(8) . . ? N7 Si3 N4 108.46(10) . . ? N4 Si3 N4 103.97(15) 6_556 . ? N3 Si3 Eu2 67.18(3) . 1_455 ? N7 Si3 Eu2 171.20(11) . 1_455 ? N4 Si3 Eu2 76.58(8) 6_556 1_455 ? N4 Si3 Eu2 76.58(8) . 1_455 ? N3 Si3 Ba2 67.18(3) . 1_455 ? N7 Si3 Ba2 171.20(11) . 1_455 ? N4 Si3 Ba2 76.58(8) 6_556 1_455 ? N4 Si3 Ba2 76.58(8) . 1_455 ? Eu2 Si3 Ba2 0.000(8) 1_455 1_455 ? N3 Si3 Eu3 58.898(14) . 1_456 ? N7 Si3 Eu3 97.19(6) . 1_456 ? N4 Si3 Eu3 63.29(7) 6_556 1_456 ? N4 Si3 Eu3 154.12(9) . 1_456 ? Eu2 Si3 Eu3 78.445(18) 1_455 1_456 ? Ba2 Si3 Eu3 78.445(18) 1_455 1_456 ? N3 Si3 Ba3 58.898(14) . 1_456 ? N7 Si3 Ba3 97.19(6) . 1_456 ? N4 Si3 Ba3 63.29(7) 6_556 1_456 ? N4 Si3 Ba3 154.12(9) . 1_456 ? Eu2 Si3 Ba3 78.445(18) 1_455 1_456 ? Ba2 Si3 Ba3 78.445(18) 1_455 1_456 ? Eu3 Si3 Ba3 0 1_456 1_456 ? N3 Si3 Eu3 58.898(14) . 1_455 ? N7 Si3 Eu3 97.19(6) . 1_455 ? N4 Si3 Eu3 154.12(9) 6_556 1_455 ? N4 Si3 Eu3 63.29(7) . 1_455 ? Eu2 Si3 Eu3 78.445(18) 1_455 1_455 ? Ba2 Si3 Eu3 78.445(18) 1_455 1_455 ? Eu3 Si3 Eu3 117.80(3) 1_456 1_455 ? Ba3 Si3 Eu3 117.80(3) 1_456 1_455 ? N3 Si3 Ba3 58.898(14) . 1_455 ? N7 Si3 Ba3 97.19(6) . 1_455 ? N4 Si3 Ba3 154.12(9) 6_556 1_455 ? N4 Si3 Ba3 63.29(7) . 1_455 ? Eu2 Si3 Ba3 78.445(18) 1_455 1_455 ? Ba2 Si3 Ba3 78.445(18) 1_455 1_455 ? Eu3 Si3 Ba3 117.80(3) 1_456 1_455 ? Ba3 Si3 Ba3 117.80(3) 1_456 1_455 ? Eu3 Si3 Ba3 0 1_455 1_455 ? N3 Si3 Ba1 164.36(5) . . ? N7 Si3 Ba1 60.34(11) . . ? N4 Si3 Ba1 72.40(8) 6_556 . ? N4 Si3 Ba1 72.40(8) . . ? Eu2 Si3 Ba1 128.46(3) 1_455 . ? Ba2 Si3 Ba1 128.46(3) 1_455 . ? Eu3 Si3 Ba1 119.830(15) 1_456 . ? Ba3 Si3 Ba1 119.830(15) 1_456 . ? Eu3 Si3 Ba1 119.830(15) 1_455 . ? Ba3 Si3 Ba1 119.830(15) 1_455 . ? N9 Si4 N1 112.82(17) 3_455 . ? N9 Si4 N8 111.90(10) 3_455 6_556 ? N1 Si4 N8 106.88(10) . 6_556 ? N9 Si4 N8 111.90(10) 3_455 . ? N1 Si4 N8 106.88(10) . . ? N8 Si4 N8 106.03(15) 6_556 . ? N9 Si4 Ba1 179.73(13) 3_455 . ? N1 Si4 Ba1 66.91(10) . . ? N8 Si4 Ba1 68.24(7) 6_556 . ? N8 Si4 Ba1 68.24(7) . . ? N9 Si4 Ba2 58.08(4) 3_455 3_455 ? N1 Si4 Ba2 116.33(5) . 3_455 ? N8 Si4 Ba2 136.12(8) 6_556 3_455 ? N8 Si4 Ba2 55.20(7) . 3_455 ? Ba1 Si4 Ba2 122.001(15) . 3_455 ? N9 Si4 Eu2 58.08(4) 3_455 3_455 ? N1 Si4 Eu2 116.33(5) . 3_455 ? N8 Si4 Eu2 136.12(8) 6_556 3_455 ? N8 Si4 Eu2 55.20(7) . 3_455 ? Ba1 Si4 Eu2 122.001(15) . 3_455 ? Ba2 Si4 Eu2 0.000(10) 3_455 3_455 ? N9 Si4 Eu2 58.08(4) 3_455 3_456 ? N1 Si4 Eu2 116.33(5) . 3_456 ? N8 Si4 Eu2 55.20(7) 6_556 3_456 ? N8 Si4 Eu2 136.12(8) . 3_456 ? Ba1 Si4 Eu2 122.001(15) . 3_456 ? Ba2 Si4 Eu2 107.88(2) 3_455 3_456 ? Eu2 Si4 Eu2 107.88(2) 3_455 3_456 ? N9 Si4 Ba2 58.08(4) 3_455 3_456 ? N1 Si4 Ba2 116.33(5) . 3_456 ? N8 Si4 Ba2 55.20(7) 6_556 3_456 ? N8 Si4 Ba2 136.12(8) . 3_456 ? Ba1 Si4 Ba2 122.001(15) . 3_456 ? Ba2 Si4 Ba2 107.88(2) 3_455 3_456 ? Eu2 Si4 Ba2 107.88(2) 3_455 3_456 ? Eu2 Si4 Ba2 0.000(10) 3_456 3_456 ? N10 Si5 N1 111.62(12) . . ? N10 Si5 N8 108.32(13) . 3_455 ? N1 Si5 N8 110.26(13) . 3_455 ? N10 Si5 N4 104.67(14) . . ? N1 Si5 N4 106.66(13) . . ? N8 Si5 N4 115.23(11) 3_455 . ? N10 Si5 Si2 62.87(12) . . ? N1 Si5 Si2 118.15(10) . . ? N8 Si5 Si2 130.57(8) 3_455 . ? N4 Si5 Si2 41.93(8) . . ? N10 Si5 Al5 147.29(9) . 6_556 ? N1 Si5 Al5 35.74(8) . 6_556 ? N8 Si5 Al5 91.49(7) 3_455 6_556 ? N4 Si5 Al5 89.05(8) . 6_556 ? Si2 Si5 Al5 122.500(18) . 6_556 ? N10 Si5 Eu2 146.19(9) . 1_455 ? N1 Si5 Eu2 102.11(8) . 1_455 ? N8 Si5 Eu2 55.20(7) 3_455 1_455 ? N4 Si5 Eu2 66.38(8) . 1_455 ? Si2 Si5 Eu2 103.41(3) . 1_455 ? Al5 Si5 Eu2 66.517(10) 6_556 1_455 ? N10 Si5 Ba2 146.19(9) . 1_455 ? N1 Si5 Ba2 102.11(8) . 1_455 ? N8 Si5 Ba2 55.20(7) 3_455 1_455 ? N4 Si5 Ba2 66.38(8) . 1_455 ? Si2 Si5 Ba2 103.41(3) . 1_455 ? Al5 Si5 Ba2 66.517(10) 6_556 1_455 ? Eu2 Si5 Ba2 0.000(5) 1_455 1_455 ? N10 Si5 Ba1 91.20(10) . . ? N1 Si5 Ba1 51.86(10) . . ? N8 Si5 Ba1 158.38(8) 3_455 . ? N4 Si5 Ba1 66.51(8) . . ? Si2 Si5 Ba1 66.39(2) . . ? Al5 Si5 Ba1 66.896(10) 6_556 . ? Eu2 Si5 Ba1 112.213(18) 1_455 . ? Ba2 Si5 Ba1 112.213(18) 1_455 . ? N10 Si5 Ba1 64.91(12) . 3_455 ? N1 Si5 Ba1 100.74(10) . 3_455 ? N8 Si5 Ba1 52.07(7) 3_455 3_455 ? N4 Si5 Ba1 152.59(8) . 3_455 ? Si2 Si5 Ba1 123.04(2) . 3_455 ? Al5 Si5 Ba1 113.525(10) 6_556 3_455 ? Eu2 Si5 Ba1 107.258(17) 1_455 3_455 ? Ba2 Si5 Ba1 107.258(17) 1_455 3_455 ? Ba1 Si5 Ba1 135.47(2) . 3_455 ? N2 Si6 N8 115.32(9) . 6 ? N2 Si6 N8 115.32(9) . . ? N8 Si6 N8 109.32(14) 6 . ? N2 Si6 N10 99.64(16) . . ? N8 Si6 N10 108.20(10) 6 . ? N8 Si6 N10 108.20(10) . . ? N2 Si6 Eu2 172.63(11) . 3_455 ? N8 Si6 Eu2 61.70(7) 6 3_455 ? N8 Si6 Eu2 61.70(7) . 3_455 ? N10 Si6 Eu2 87.72(12) . 3_455 ? N2 Si6 Ba2 172.63(11) . 3_455 ? N8 Si6 Ba2 61.70(7) 6 3_455 ? N8 Si6 Ba2 61.70(7) . 3_455 ? N10 Si6 Ba2 87.72(12) . 3_455 ? Eu2 Si6 Ba2 0.000(8) 3_455 3_455 ? N2 Si6 Eu1 58.819(16) . 1_554 ? N8 Si6 Eu1 60.16(7) 6 1_554 ? N8 Si6 Eu1 153.51(8) . 1_554 ? N10 Si6 Eu1 98.29(6) . 1_554 ? Eu2 Si6 Eu1 120.398(15) 3_455 1_554 ? Ba2 Si6 Eu1 120.398(15) 3_455 1_554 ? N2 Si6 Ba1 58.819(16) . 1_554 ? N8 Si6 Ba1 60.16(7) 6 1_554 ? N8 Si6 Ba1 153.51(8) . 1_554 ? N10 Si6 Ba1 98.29(6) . 1_554 ? Eu2 Si6 Ba1 120.398(15) 3_455 1_554 ? Ba2 Si6 Ba1 120.398(15) 3_455 1_554 ? Eu1 Si6 Ba1 0.000(10) 1_554 1_554 ? N2 Si6 Ba1 58.818(16) . . ? N8 Si6 Ba1 153.51(8) 6 . ? N8 Si6 Ba1 60.16(7) . . ? N10 Si6 Ba1 98.29(6) . . ? Eu2 Si6 Ba1 120.399(15) 3_455 . ? Ba2 Si6 Ba1 120.399(15) 3_455 . ? Eu1 Si6 Ba1 117.20(3) 1_554 . ? Ba1 Si6 Ba1 117.20(3) 1_554 . ? N6 Si7 N7 114.43(12) . . ? N6 Si7 N5 113.35(12) . 5_666 ? N7 Si7 N5 113.11(12) . 5_666 ? N6 Si7 N5 111.13(12) . 6_556 ? N7 Si7 N5 109.16(12) . 6_556 ? N5 Si7 N5 93.75(10) 5_666 6_556 ? N6 Si7 Al7 124.42(8) . 2_665 ? N7 Si7 Al7 120.94(9) . 2_665 ? N5 Si7 Al7 47.61(8) 5_666 2_665 ? N5 Si7 Al7 46.15(7) 6_556 2_665 ? N6 Si7 Si7 124.42(8) . 2_665 ? N7 Si7 Si7 120.94(9) . 2_665 ? N5 Si7 Si7 47.61(8) 5_666 2_665 ? N5 Si7 Si7 46.15(7) 6_556 2_665 ? Al7 Si7 Si7 0.00(5) 2_665 2_665 ? N6 Si7 Al7 34.49(8) . 6 ? N7 Si7 Al7 148.90(9) . 6 ? N5 Si7 Al7 89.42(7) 5_666 6 ? N5 Si7 Al7 89.44(7) 6_556 6 ? Al7 Si7 Al7 90 2_665 6 ? Si7 Si7 Al7 90 2_665 6 ? N6 Si7 Eu2 103.86(10) . 5_666 ? N7 Si7 Eu2 61.82(10) . 5_666 ? N5 Si7 Eu2 63.41(7) 5_666 5_666 ? N5 Si7 Eu2 143.85(7) 6_556 5_666 ? Al7 Si7 Eu2 105.53(3) 2_665 5_666 ? Si7 Si7 Eu2 105.53(3) 2_665 5_666 ? Al7 Si7 Eu2 116.178(12) 6 5_666 ? N6 Si7 Ba2 103.86(10) . 5_666 ? N7 Si7 Ba2 61.82(10) . 5_666 ? N5 Si7 Ba2 63.41(7) 5_666 5_666 ? N5 Si7 Ba2 143.85(7) 6_556 5_666 ? Al7 Si7 Ba2 105.53(3) 2_665 5_666 ? Si7 Si7 Ba2 105.53(3) 2_665 5_666 ? Al7 Si7 Ba2 116.178(12) 6 5_666 ? Eu2 Si7 Ba2 0.000(7) 5_666 5_666 ? N6 Si7 Ba1 105.72(10) . . ? N7 Si7 Ba1 61.71(11) . . ? N5 Si7 Ba1 137.41(8) 5_666 . ? N5 Si7 Ba1 55.56(7) 6_556 . ? Al7 Si7 Ba1 96.15(3) 2_665 . ? Si7 Si7 Ba1 96.15(3) 2_665 . ? Al7 Si7 Ba1 115.892(12) 6 . ? Eu2 Si7 Ba1 122.94(2) 5_666 . ? Ba2 Si7 Ba1 122.94(2) 5_666 . ? Al5 N1 Si5 0.00(4) 6_556 6_556 ? Al5 N1 Si5 108.53(16) 6_556 . ? Si5 N1 Si5 108.53(16) 6_556 . ? Al5 N1 Si4 125.52(8) 6_556 . ? Si5 N1 Si4 125.52(8) 6_556 . ? Si5 N1 Si4 125.52(8) . . ? Al5 N1 Ba1 99.68(11) 6_556 . ? Si5 N1 Ba1 99.68(11) 6_556 . ? Si5 N1 Ba1 99.68(11) . . ? Si4 N1 Ba1 79.16(11) . . ? Si1 N2 Si6 140.00(19) . . ? Si1 N2 Si2 118.34(17) . . ? Si6 N2 Si2 101.66(15) . . ? Si1 N2 Ba1 88.16(6) . . ? Si6 N2 Ba1 89.13(6) . . ? Si2 N2 Ba1 94.00(6) . . ? Si1 N2 Eu1 88.16(6) . 1_554 ? Si6 N2 Eu1 89.13(6) . 1_554 ? Si2 N2 Eu1 94.00(6) . 1_554 ? Ba1 N2 Eu1 172.00(12) . 1_554 ? Si1 N2 Ba1 88.16(6) . 1_554 ? Si6 N2 Ba1 89.13(6) . 1_554 ? Si2 N2 Ba1 94.00(6) . 1_554 ? Ba1 N2 Ba1 172.00(12) . 1_554 ? Eu1 N2 Ba1 0.000(9) 1_554 1_554 ? Al3 N3 Si3 0.00(5) 5_566 5_566 ? Al3 N3 Si3 180.00(4) 5_566 . ? Si3 N3 Si3 180.00(4) 5_566 . ? Al3 N3 Eu3 90 5_566 1_456 ? Si3 N3 Eu3 90 5_566 1_456 ? Si3 N3 Eu3 90 . 1_456 ? Al3 N3 Ba3 90 5_566 1_455 ? Si3 N3 Ba3 90 5_566 1_455 ? Si3 N3 Ba3 90 . 1_455 ? Eu3 N3 Ba3 180 1_456 1_455 ? Al3 N3 Ba3 90 5_566 1_456 ? Si3 N3 Ba3 90 5_566 1_456 ? Si3 N3 Ba3 90 . 1_456 ? Eu3 N3 Ba3 0 1_456 1_456 ? Ba3 N3 Ba3 180 1_455 1_456 ? Al3 N3 Eu3 90 5_566 1_455 ? Si3 N3 Eu3 90 5_566 1_455 ? Si3 N3 Eu3 90 . 1_455 ? Eu3 N3 Eu3 180 1_456 1_455 ? Ba3 N3 Eu3 0 1_455 1_455 ? Ba3 N3 Eu3 180 1_456 1_455 ? Al3 N3 Ba2 99.51(3) 5_566 1_455 ? Si3 N3 Ba2 99.51(3) 5_566 1_455 ? Si3 N3 Ba2 80.49(3) . 1_455 ? Eu3 N3 Ba2 90 1_456 1_455 ? Ba3 N3 Ba2 90 1_455 1_455 ? Ba3 N3 Ba2 90 1_456 1_455 ? Eu3 N3 Ba2 90 1_455 1_455 ? Al3 N3 Eu2 80.49(3) 5_566 5_666 ? Si3 N3 Eu2 80.49(3) 5_566 5_666 ? Si3 N3 Eu2 99.51(3) . 5_666 ? Eu3 N3 Eu2 90 1_456 5_666 ? Ba3 N3 Eu2 90 1_455 5_666 ? Ba3 N3 Eu2 90 1_456 5_666 ? Eu3 N3 Eu2 90 1_455 5_666 ? Ba2 N3 Eu2 180 1_455 5_666 ? Al3 N3 Eu2 99.51(3) 5_566 1_455 ? Si3 N3 Eu2 99.51(3) 5_566 1_455 ? Si3 N3 Eu2 80.49(3) . 1_455 ? Eu3 N3 Eu2 90 1_456 1_455 ? Ba3 N3 Eu2 90 1_455 1_455 ? Ba3 N3 Eu2 90 1_456 1_455 ? Eu3 N3 Eu2 90 1_455 1_455 ? Ba2 N3 Eu2 0.000(7) 1_455 1_455 ? Eu2 N3 Eu2 180 5_666 1_455 ? Al3 N3 Ba2 80.49(3) 5_566 5_666 ? Si3 N3 Ba2 80.49(3) 5_566 5_666 ? Si3 N3 Ba2 99.51(3) . 5_666 ? Eu3 N3 Ba2 90 1_456 5_666 ? Ba3 N3 Ba2 90 1_455 5_666 ? Ba3 N3 Ba2 90 1_456 5_666 ? Eu3 N3 Ba2 90 1_455 5_666 ? Ba2 N3 Ba2 180 1_455 5_666 ? Eu2 N3 Ba2 0.000(6) 5_666 5_666 ? Eu2 N3 Ba2 180 1_455 5_666 ? Si3 N4 Si5 128.82(14) . . ? Si3 N4 Si2 124.96(13) . . ? Si5 N4 Si2 98.10(12) . . ? Si3 N4 Eu3 85.20(9) . 1_455 ? Si5 N4 Eu3 136.42(11) . 1_455 ? Si2 N4 Eu3 75.45(8) . 1_455 ? Si3 N4 Ba3 85.20(9) . 1_455 ? Si5 N4 Ba3 136.42(11) . 1_455 ? Si2 N4 Ba3 75.45(8) . 1_455 ? Eu3 N4 Ba3 0 1_455 1_455 ? Si3 N4 Ba2 71.88(8) . 1_455 ? Si5 N4 Ba2 84.09(8) . 1_455 ? Si2 N4 Ba2 150.12(11) . 1_455 ? Eu3 N4 Ba2 82.50(6) 1_455 1_455 ? Ba3 N4 Ba2 82.50(6) 1_455 1_455 ? Al1 N5 Si1 0.00(5) 1_556 1_556 ? Al1 N5 Al7 118.44(12) 1_556 5_666 ? Si1 N5 Al7 118.44(12) 1_556 5_666 ? Al1 N5 Si7 118.44(12) 1_556 5_666 ? Si1 N5 Si7 118.44(12) 1_556 5_666 ? Al7 N5 Si7 0.00(5) 5_666 5_666 ? Al1 N5 Al7 112.39(12) 1_556 6_556 ? Si1 N5 Al7 112.39(12) 1_556 6_556 ? Al7 N5 Al7 86.24(10) 5_666 6_556 ? Si7 N5 Al7 86.24(10) 5_666 6_556 ? Al1 N5 Si7 112.39(12) 1_556 6_556 ? Si1 N5 Si7 112.39(12) 1_556 6_556 ? Al7 N5 Si7 86.24(10) 5_666 6_556 ? Si7 N5 Si7 86.24(10) 5_666 6_556 ? Al7 N5 Si7 0.00(2) 6_556 6_556 ? Al1 N5 Ba1 92.47(9) 1_556 . ? Si1 N5 Ba1 92.47(9) 1_556 . ? Al7 N5 Ba1 147.05(11) 5_666 . ? Si7 N5 Ba1 147.05(11) 5_666 . ? Al7 N5 Ba1 92.44(9) 6_556 . ? Si7 N5 Ba1 92.44(9) 6_556 . ? Al1 N5 Ba2 98.39(9) 1_556 . ? Si1 N5 Ba2 98.39(9) 1_556 . ? Al7 N5 Ba2 85.16(8) 5_666 . ? Si7 N5 Ba2 85.16(8) 5_666 . ? Al7 N5 Ba2 148.41(10) 6_556 . ? Si7 N5 Ba2 148.41(10) 6_556 . ? Ba1 N5 Ba2 78.89(5) . . ? Al7 N6 Si7 0.00(5) 6 6 ? Al7 N6 Si7 111.03(17) 6 . ? Si7 N6 Si7 111.03(17) 6 . ? Al7 N6 Si2 108.51(11) 6 . ? Si7 N6 Si2 108.51(11) 6 . ? Si7 N6 Si2 108.51(11) . . ? Al7 N6 Ba3 119.42(10) 6 1_455 ? Si7 N6 Ba3 119.42(10) 6 1_455 ? Si7 N6 Ba3 119.43(10) . 1_455 ? Si2 N6 Ba3 85.70(11) . 1_455 ? Al7 N6 Eu3 119.42(10) 6 1_455 ? Si7 N6 Eu3 119.42(10) 6 1_455 ? Si7 N6 Eu3 119.43(10) . 1_455 ? Si2 N6 Eu3 85.70(11) . 1_455 ? Ba3 N6 Eu3 0 1_455 1_455 ? Si7 N7 Al7 117.79(18) . 6_556 ? Si7 N7 Si7 117.79(18) . 6_556 ? Al7 N7 Si7 0.00(2) 6_556 6_556 ? Si7 N7 Si3 120.92(9) . . ? Al7 N7 Si3 120.93(9) 6_556 . ? Si7 N7 Si3 120.93(9) 6_556 . ? Si7 N7 Eu2 87.21(11) . 5_666 ? Al7 N7 Eu2 87.21(11) 6_556 5_666 ? Si7 N7 Eu2 87.21(11) 6_556 5_666 ? Si3 N7 Eu2 101.23(13) . 5_666 ? Si7 N7 Ba2 87.21(11) . 5_666 ? Al7 N7 Ba2 87.21(11) 6_556 5_666 ? Si7 N7 Ba2 87.21(11) 6_556 5_666 ? Si3 N7 Ba2 101.23(13) . 5_666 ? Eu2 N7 Ba2 0.000(9) 5_666 5_666 ? Si7 N7 Ba1 87.66(11) . . ? Al7 N7 Ba1 87.66(11) 6_556 . ? Si7 N7 Ba1 87.66(11) 6_556 . ? Si3 N7 Ba1 88.72(12) . . ? Eu2 N7 Ba1 170.05(12) 5_666 . ? Ba2 N7 Ba1 170.05(12) 5_666 . ? Al5 N8 Si5 0.00(6) 3 3 ? Al5 N8 Si4 123.06(13) 3 . ? Si5 N8 Si4 123.06(13) 3 . ? Al5 N8 Si6 111.14(12) 3 . ? Si5 N8 Si6 111.14(12) 3 . ? Si4 N8 Si6 125.36(13) . . ? Al5 N8 Ba1 99.74(9) 3 . ? Si5 N8 Ba1 99.74(9) 3 . ? Si4 N8 Ba1 77.58(8) . . ? Si6 N8 Ba1 87.72(8) . . ? Al5 N8 Ba2 95.44(9) 3 3_455 ? Si5 N8 Ba2 95.44(9) 3 3_455 ? Si4 N8 Ba2 95.10(9) . 3_455 ? Si6 N8 Ba2 85.74(8) . 3_455 ? Ba1 N8 Ba2 164.78(8) . 3_455 ? Al5 N8 Eu2 95.44(9) 3 3_455 ? Si5 N8 Eu2 95.44(9) 3 3_455 ? Si4 N8 Eu2 95.10(9) . 3_455 ? Si6 N8 Eu2 85.74(8) . 3_455 ? Ba1 N8 Eu2 164.78(8) . 3_455 ? Ba2 N8 Eu2 0.000(10) 3_455 3_455 ? Al4 N9 Si4 0.00(3) 3 3 ? Al4 N9 Si1 137.1(2) 3 . ? Si4 N9 Si1 137.1(2) 3 . ? Al4 N9 Eu2 94.71(7) 3 1_554 ? Si4 N9 Eu2 94.71(7) 3 1_554 ? Si1 N9 Eu2 98.44(7) . 1_554 ? Al4 N9 Ba2 94.71(7) 3 1_554 ? Si4 N9 Ba2 94.71(7) 3 1_554 ? Si1 N9 Ba2 98.44(7) . 1_554 ? Eu2 N9 Ba2 0.000(8) 1_554 1_554 ? Al4 N9 Ba2 94.71(7) 3 . ? Si4 N9 Ba2 94.71(7) 3 . ? Si1 N9 Ba2 98.44(7) . . ? Eu2 N9 Ba2 143.30(13) 1_554 . ? Ba2 N9 Ba2 143.30(13) 1_554 . ? Si5 N10 Al5 114.58(18) . 6 ? Si5 N10 Si5 114.58(18) . 6 ? Al5 N10 Si5 0.00(6) 6 6 ? Si5 N10 Si6 117.90(11) . . ? Al5 N10 Si6 117.90(11) 6 . ? Si5 N10 Si6 117.90(11) 6 . ? # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ # END of CIF