data_global
_audit_creation_date                               2019-05-14
_audit_creation_method                            'by CrystalStructure 4.3'
_audit_update_record                               ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic                      ?
_journal_date_from_coeditor                        ?
_journal_date_accepted                             ?
_journal_coeditor_code                             ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name                         'ENTER NAME'
_publ_contact_author_email                        'ENTER EMAIL ADDRESS'
_publ_contact_author_fax                          'ENTER FAX NUMBER'
_publ_contact_author_phone                        'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal                           'ENTER JOURNAL NAME HERE'
_publ_requested_category
                                               'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name                      ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2019). CrystalStructure. Version 4.3. 
    Rigaku Corporation, Tokyo, Japan.

    Sheldrick, G. M. (2014). Acta Cryst. (2014). A70, C1437.
    SHELXT Version 2014/5

    Sheldrick, G.M. (2008) SHELXL Version 2018/1, Acta Cryst. A64, 112-122.

    Rigaku (1999). NUMABS. 
    Rigaku Corporation, Tokyo, Japan.

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_Ca2Si5N8_4th

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'Al2 Ca N8 Si4'
_chemical_formula_moiety                          'Al2 Ca N8 Si4'
_chemical_formula_weight                           318.44
_chemical_melting_point                            ?
_chemical_absolute_configuration
                                                 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        trigonal
_space_group_name_H-M_alt                         'P 3 1 c'
_space_group_name_Hall                            'P 3 -2c'
_space_group_IT_number                             159
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '-Y,+X-Y,+Z'
3   '-X+Y,-X,+Z'
4   '+Y,+X,1/2+Z'
5   '-X,-X+Y,1/2+Z'
6   '+X-Y,-Y,1/2+Z'
#------------------------------------------------------------------------------
_cell_length_a                                     7.9525(10)
_cell_length_b                                     7.9525
_cell_length_c                                     5.7712(9)
_cell_angle_alpha                                  90.0000
_cell_angle_beta                                   90.0000
_cell_angle_gamma                                  120.0000
_cell_volume                                       316.09(6)
_cell_formula_units_Z                              2
_cell_measurement_reflns_used                      1118
_cell_measurement_theta_min                        2.96
_cell_measurement_theta_max                        32.03
_cell_measurement_temperature                      296
#------------------------------------------------------------------------------
_exptl_crystal_description                         prism
_exptl_crystal_colour                              yellow
_exptl_crystal_size_max                            0.114
_exptl_crystal_size_mid                            0.107
_exptl_crystal_size_min                            0.100
_exptl_crystal_density_diffrn                      3.346
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               316.00
_exptl_absorpt_coefficient_mu                      1.986
_exptl_absorpt_correction_type                     numerical
_exptl_absorpt_process_details                    'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min                    0.786
_exptl_absorpt_correction_T_max                    0.820

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        296
_diffrn_radiation_type                            'Mo K\a'
_diffrn_radiation_wavelength                       0.71075
_diffrn_measurement_device_type                   'Rigaku XtaLAB mini'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   13.653
_diffrn_reflns_number                              4084
_diffrn_reflns_av_unetI/netI                       0.0189
_diffrn_reflns_av_R_equivalents                    0.0328
_diffrn_reflns_theta_max                           32.223
_diffrn_reflns_theta_min                           2.958
_diffrn_reflns_theta_full                          25.242
_diffrn_measured_fraction_theta_max                0.992
_diffrn_measured_fraction_theta_full               1.000
_diffrn_reflns_Laue_measured_fraction_max          0.992
_diffrn_reflns_Laue_measured_fraction_full         1.000
_diffrn_reflns_point_group_measured_fraction_max   0.971
_diffrn_reflns_point_group_measured_fraction_full  0.990
_diffrn_reflns_limit_h_min                        -10
_diffrn_reflns_limit_h_max                         11
_diffrn_reflns_limit_k_min                        -11
_diffrn_reflns_limit_k_max                         11
_diffrn_reflns_limit_l_min                        -8
_diffrn_reflns_limit_l_max                         8
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?
_reflns_number_total                               707
_reflns_number_gt                                  706
_reflns_threshold_expression                       F²>2.0σ(F²)
_reflns_Friedel_coverage          0.932
_reflns_Friedel_fraction_max      0.949
_reflns_Friedel_fraction_full     0.979

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.0261
_refine_ls_R_factor_gt                             0.0261
_refine_ls_wR_factor_ref                           0.0656
_refine_ls_wR_factor_gt                            0.0655
_refine_ls_number_restraints                       1
_refine_ls_number_reflns                           707
_refine_ls_number_parameters                       47
_refine_ls_goodness_of_fit_ref                     1.107
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
           'w = 1/[σ²(Fo²)+(0.0482P)²+0.1764P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.000
_refine_diff_density_max                           0.37
_refine_diff_density_min                          -0.34
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?
_refine_ls_abs_structure_details
;
 Flack x determined using 328 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack                     0.01(12)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'Al' 'Al'  0.0645 0.0514 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Ca' 'Ca'  0.2262 0.3064 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.0061 0.0033 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Si' 'Si'  0.0817 0.0704 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Ca1 Ca 0.666667 0.333333 0.8851(3) 0.0092(3) Uani 1 3 d S T P . .
Si1 Si 0.51176(13) 0.42593(14) 0.4027(2) 0.0048(2) Uani 0.6667 1 d . . P . .
Si2 Si 0.82984(15) 0.75092(14) 0.11487(19) 0.0041(2) Uani 0.6667 1 d . . P . .
Al1 Al 0.51176(13) 0.42593(14) 0.4027(2) 0.0048(2) Uani 0.3333 1 d . . P . .
Al2 Al 0.82984(15) 0.75092(14) 0.11487(19) 0.0041(2) Uani 0.3333 1 d . . P . .
N1 N 0.666667 0.333333 0.4750(12) 0.0097(12) Uani 1 3 d S T P . .
N2 N 0.6740(5) 0.6811(5) 0.3639(7) 0.0083(6) Uani 1 1 d . . . . .
N3 N 0.3404(5) 0.3976(5) 0.6258(7) 0.0079(6) Uani 1 1 d . . . . .
N4 N 1.000000 1.000000 0.1141(12) 0.0088(11) Uani 1 3 d S T P . .


#==============================================================================
_computing_data_collection
                                 'CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)'
_computing_cell_refinement
                                                'CrystalClear-SM Expert 2.0 r1'
_computing_data_reduction
                                                'CrystalClear-SM Expert 2.0 r1'
_computing_structure_solution
                                      'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement
                                      'SHELXL Version 2018/1 (Sheldrick, 2008)'
_computing_publication_material
                                          'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics                     'CrystalStructure 4.3'

#==============================================================================
# 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_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Ca1 N1 2.367(7) . ?
Ca1 N3 2.576(4) 5_655 ?
Ca1 N3 2.576(4) 6_665 ?
Ca1 N3 2.576(4) 4 ?
Ca1 N2 2.656(4) 6_665 ?
Ca1 N2 2.656(4) 5_655 ?
Ca1 N2 2.656(4) 4 ?
Ca1 Si1 2.8992(10) 5_655 ?
Ca1 Si1 2.8992(10) 6_665 ?
Ca1 Si1 2.8991(10) 4 ?
Ca1 Si2 3.1877(12) 3_666 ?
Ca1 Si2 3.1877(12) 2_656 ?
Si1 N1 1.772(2) . ?
Si1 N2 1.793(3) . ?
Si1 N3 1.795(4) 4_554 ?
Si1 N3 1.805(4) . ?
Si2 N4 1.7534(10) . ?
Si2 N2 1.774(4) 4_554 ?
Si2 N2 1.795(4) . ?
Si2 N3 1.808(4) 6_664 ?

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
N1 Ca1 N3 122.64(9) . 5_655 ?
N1 Ca1 N3 122.64(9) . 6_665 ?
N3 Ca1 N3 93.65(12) 5_655 6_665 ?
N1 Ca1 N3 122.64(9) . 4 ?
N3 Ca1 N3 93.65(12) 5_655 4 ?
N3 Ca1 N3 93.65(12) 6_665 4 ?
N1 Ca1 N2 87.36(10) . 6_665 ?
N3 Ca1 N2 66.01(11) 5_655 6_665 ?
N3 Ca1 N2 67.37(11) 6_665 6_665 ?
N3 Ca1 N2 149.99(15) 4 6_665 ?
N1 Ca1 N2 87.36(10) . 5_655 ?
N3 Ca1 N2 67.37(11) 5_655 5_655 ?
N3 Ca1 N2 149.99(15) 6_665 5_655 ?
N3 Ca1 N2 66.01(11) 4 5_655 ?
N2 Ca1 N2 119.790(18) 6_665 5_655 ?
N1 Ca1 N2 87.36(10) . 4 ?
N3 Ca1 N2 149.99(15) 5_655 4 ?
N3 Ca1 N2 66.01(11) 6_665 4 ?
N3 Ca1 N2 67.37(11) 4 4 ?
N2 Ca1 N2 119.789(18) 6_665 4 ?
N2 Ca1 N2 119.788(18) 5_655 4 ?
N1 Ca1 Si1 92.01(4) . 5_655 ?
N3 Ca1 Si1 37.92(8) 5_655 5_655 ?
N3 Ca1 Si1 131.32(10) 6_665 5_655 ?
N3 Ca1 Si1 94.13(8) 4 5_655 ?
N2 Ca1 Si1 83.05(8) 6_665 5_655 ?
N2 Ca1 Si1 37.34(8) 5_655 5_655 ?
N2 Ca1 Si1 157.06(8) 4 5_655 ?
N1 Ca1 Si1 92.01(4) . 6_665 ?
N3 Ca1 Si1 94.12(8) 5_655 6_665 ?
N3 Ca1 Si1 37.92(8) 6_665 6_665 ?
N3 Ca1 Si1 131.32(10) 4 6_665 ?
N2 Ca1 Si1 37.33(8) 6_665 6_665 ?
N2 Ca1 Si1 157.06(8) 5_655 6_665 ?
N2 Ca1 Si1 83.05(8) 4 6_665 ?
Si1 Ca1 Si1 119.877(5) 5_655 6_665 ?
N1 Ca1 Si1 92.01(4) . 4 ?
N3 Ca1 Si1 131.32(10) 5_655 4 ?
N3 Ca1 Si1 94.13(8) 6_665 4 ?
N3 Ca1 Si1 37.92(8) 4 4 ?
N2 Ca1 Si1 157.06(8) 6_665 4 ?
N2 Ca1 Si1 83.05(8) 5_655 4 ?
N2 Ca1 Si1 37.33(8) 4 4 ?
Si1 Ca1 Si1 119.879(7) 5_655 4 ?
Si1 Ca1 Si1 119.879(8) 6_665 4 ?
N1 Ca1 Si2 114.58(3) . 3_666 ?
N3 Ca1 Si2 34.53(8) 5_655 3_666 ?
N3 Ca1 Si2 70.29(8) 6_665 3_666 ?
N3 Ca1 Si2 119.21(10) 4 3_666 ?
N2 Ca1 Si2 33.82(9) 6_665 3_666 ?
N2 Ca1 Si2 99.59(8) 5_655 3_666 ?
N2 Ca1 Si2 136.20(9) 4 3_666 ?
Si1 Ca1 Si2 64.07(3) 5_655 3_666 ?
Si1 Ca1 Si2 60.00(3) 6_665 3_666 ?
Si1 Ca1 Si2 153.32(7) 4 3_666 ?
N1 Ca1 Si2 114.58(3) . 2_656 ?
N3 Ca1 Si2 70.29(8) 5_655 2_656 ?
N3 Ca1 Si2 119.21(10) 6_665 2_656 ?
N3 Ca1 Si2 34.53(8) 4 2_656 ?
N2 Ca1 Si2 136.20(9) 6_665 2_656 ?
N2 Ca1 Si2 33.82(9) 5_655 2_656 ?
N2 Ca1 Si2 99.59(8) 4 2_656 ?
Si1 Ca1 Si2 60.00(3) 5_655 2_656 ?
Si1 Ca1 Si2 153.32(7) 6_665 2_656 ?
Si1 Ca1 Si2 64.07(3) 4 2_656 ?
Si2 Ca1 Si2 103.91(4) 3_666 2_656 ?
N1 Si1 N2 104.09(15) . . ?
N1 Si1 N3 112.2(2) . 4_554 ?
N2 Si1 N3 105.00(19) . 4_554 ?
N1 Si1 N3 114.7(2) . . ?
N2 Si1 N3 107.56(19) . . ?
N3 Si1 N3 112.35(17) 4_554 . ?
N1 Si1 Ca1 162.55(16) . 4_554 ?
N2 Si1 Ca1 63.96(14) . 4_554 ?
N3 Si1 Ca1 84.09(11) 4_554 4_554 ?
N3 Si1 Ca1 61.28(12) . 4_554 ?
N1 Si1 Ca1 44.6(2) . . ?
N2 Si1 Ca1 102.83(14) . . ?
N3 Si1 Ca1 147.96(12) 4_554 . ?
N3 Si1 Ca1 73.18(12) . . ?
Ca1 Si1 Ca1 122.80(6) 4_554 . ?
N1 Si1 Ca1 73.6(2) . 1_554 ?
N2 Si1 Ca1 90.10(14) . 1_554 ?
N3 Si1 Ca1 46.78(11) 4_554 1_554 ?
N3 Si1 Ca1 156.82(13) . 1_554 ?
Ca1 Si1 Ca1 117.11(6) 4_554 1_554 ?
Ca1 Si1 Ca1 118.28(3) . 1_554 ?
N4 Si2 N2 113.1(2) . 4_554 ?
N4 Si2 N2 112.0(2) . . ?
N2 Si2 N2 107.99(14) 4_554 . ?
N4 Si2 N3 112.52(12) . 6_664 ?
N2 Si2 N3 105.5(2) 4_554 6_664 ?
N2 Si2 N3 105.19(19) . 6_664 ?
N4 Si2 Ca1 149.1(2) . 1_554 ?
N2 Si2 Ca1 56.44(13) 4_554 1_554 ?
N2 Si2 Ca1 98.76(12) . 1_554 ?
N3 Si2 Ca1 53.87(12) 6_664 1_554 ?
Si1 N1 Si1 114.64(17) 2_655 3_665 ?
Si1 N1 Si1 114.63(17) 2_655 . ?
Si1 N1 Si1 114.63(17) 3_665 . ?
Si1 N1 Ca1 103.6(2) 2_655 . ?
Si1 N1 Ca1 103.6(2) 3_665 . ?
Si1 N1 Ca1 103.6(2) . . ?
Si2 N2 Si1 117.8(2) 4 . ?
Si2 N2 Si2 119.52(18) 4 . ?
Si1 N2 Si2 116.4(2) . . ?
Si2 N2 Ca1 89.74(17) 4 4_554 ?
Si1 N2 Ca1 78.71(12) . 4_554 ?
Si2 N2 Ca1 125.6(2) . 4_554 ?
Si1 N3 Si1 120.0(2) 4 . ?
Si1 N3 Si2 112.5(2) 4 6_565 ?
Si1 N3 Si2 127.4(2) . 6_565 ?
Si1 N3 Ca1 102.70(15) 4 4_554 ?
Si1 N3 Ca1 80.80(15) . 4_554 ?
Si2 N3 Ca1 91.60(14) 6_565 4_554 ?
Si2 N4 Si2 119.999(5) 2_765 3_675 ?
Si2 N4 Si2 119.999(3) 2_765 . ?
Si2 N4 Si2 120.000(7) 3_675 . ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
N2 Si1 N1 Si1 -153.7(3) . . . 2_655 ?
N3 Si1 N1 Si1 -40.7(4) 4_554 . . 2_655 ?
N3 Si1 N1 Si1 89.1(4) . . . 2_655 ?
Ca1 Si1 N1 Si1 161.6(3) 4_554 . . 2_655 ?
Ca1 Si1 N1 Si1 112.2(3) . . . 2_655 ?
Ca1 Si1 N1 Si1 -67.8(3) 1_554 . . 2_655 ?
N2 Si1 N1 Si1 -18.1(4) . . . 3_665 ?
N3 Si1 N1 Si1 94.9(3) 4_554 . . 3_665 ?
N3 Si1 N1 Si1 -135.3(3) . . . 3_665 ?
Ca1 Si1 N1 Si1 -62.8(9) 4_554 . . 3_665 ?
Ca1 Si1 N1 Si1 -112.2(3) . . . 3_665 ?
Ca1 Si1 N1 Si1 67.8(3) 1_554 . . 3_665 ?
N2 Si1 N1 Ca1 94.12(16) . . . . ?
N3 Si1 N1 Ca1 -152.90(14) 4_554 . . . ?
N3 Si1 N1 Ca1 -23.14(15) . . . . ?
Ca1 Si1 N1 Ca1 49.4(6) 4_554 . . . ?
Ca1 Si1 N1 Ca1 180.000(0) 1_554 . . . ?
N1 Si1 N2 Si2 -82.8(3) . . . 4 ?
N3 Si1 N2 Si2 159.2(2) 4_554 . . 4 ?
N3 Si1 N2 Si2 39.4(3) . . . 4 ?
Ca1 Si1 N2 Si2 83.7(2) 4_554 . . 4 ?
Ca1 Si1 N2 Si2 -36.8(3) . . . 4 ?
Ca1 Si1 N2 Si2 -155.9(2) 1_554 . . 4 ?
N1 Si1 N2 Si2 69.3(3) . . . . ?
N3 Si1 N2 Si2 -48.8(3) 4_554 . . . ?
N3 Si1 N2 Si2 -168.6(2) . . . . ?
Ca1 Si1 N2 Si2 -124.3(3) 4_554 . . . ?
Ca1 Si1 N2 Si2 115.2(2) . . . . ?
Ca1 Si1 N2 Si2 -3.9(2) 1_554 . . . ?
N1 Si1 N2 Ca1 -166.4(2) . . . 4_554 ?
N3 Si1 N2 Ca1 75.54(14) 4_554 . . 4_554 ?
N3 Si1 N2 Ca1 -44.31(18) . . . 4_554 ?
Ca1 Si1 N2 Ca1 -120.47(9) . . . 4_554 ?
Ca1 Si1 N2 Ca1 120.42(9) 1_554 . . 4_554 ?
N4 Si2 N2 Si2 -21.6(3) . . . 4 ?
N2 Si2 N2 Si2 -146.8(3) 4_554 . . 4 ?
N3 Si2 N2 Si2 100.9(3) 6_664 . . 4 ?
Ca1 Si2 N2 Si2 155.7(2) 1_554 . . 4 ?
N4 Si2 N2 Si1 -173.1(2) . . . . ?
N2 Si2 N2 Si1 61.68(16) 4_554 . . . ?
N3 Si2 N2 Si1 -50.6(3) 6_664 . . . ?
Ca1 Si2 N2 Si1 4.2(2) 1_554 . . . ?
N4 Si2 N2 Ca1 91.9(2) . . . 4_554 ?
N2 Si2 N2 Ca1 -33.3(2) 4_554 . . 4_554 ?
N3 Si2 N2 Ca1 -145.5(2) 6_664 . . 4_554 ?
Ca1 Si2 N2 Ca1 -90.74(18) 1_554 . . 4_554 ?
N1 Si1 N3 Si1 61.5(3) . . . 4 ?
N2 Si1 N3 Si1 -53.7(3) . . . 4 ?
N3 Si1 N3 Si1 -168.8(2) 4_554 . . 4 ?
Ca1 Si1 N3 Si1 -99.4(2) 4_554 . . 4 ?
Ca1 Si1 N3 Si1 44.78(18) . . . 4 ?
Ca1 Si1 N3 Si1 168.26(15) 1_554 . . 4 ?
N1 Si1 N3 Si2 -114.1(2) . . . 6_565 ?
N2 Si1 N3 Si2 130.6(2) . . . 6_565 ?
N3 Si1 N3 Si2 15.6(3) 4_554 . . 6_565 ?
Ca1 Si1 N3 Si2 84.9(2) 4_554 . . 6_565 ?
Ca1 Si1 N3 Si2 -130.9(2) . . . 6_565 ?
Ca1 Si1 N3 Si2 -7.4(5) 1_554 . . 6_565 ?
N1 Si1 N3 Ca1 160.96(12) . . . 4_554 ?
N2 Si1 N3 Ca1 45.70(18) . . . 4_554 ?
N3 Si1 N3 Ca1 -69.37(17) 4_554 . . 4_554 ?
Ca1 Si1 N3 Ca1 144.20(9) . . . 4_554 ?
Ca1 Si1 N3 Ca1 -92.3(3) 1_554 . . 4_554 ?
N2 Si2 N4 Si2 -117.5(4) 4_554 . . 2_765 ?
N2 Si2 N4 Si2 120.1(4) . . . 2_765 ?
N3 Si2 N4 Si2 1.9(5) 6_664 . . 2_765 ?
Ca1 Si2 N4 Si2 -54.8(6) 1_554 . . 2_765 ?
N2 Si2 N4 Si2 63.0(5) 4_554 . . 3_675 ?
N2 Si2 N4 Si2 -59.4(5) . . . 3_675 ?
N3 Si2 N4 Si2 -177.6(3) 6_664 . . 3_675 ?
Ca1 Si2 N4 Si2 125.7(2) 1_554 . . 3_675 ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
