Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates
datasetposted on 07.02.2011 by Tan Su, Hongzhu Xing, Jin Xu, Jihong Yu, Ruren Xu
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
Three new open-framework metal borophosphates, [Na6Co3B2P5O21Cl]·H2O (JIS-4), K5Mn2B2P5O19(OH)2 (JIS-5), (NH4)8[Co2B4P8O30(OH)4] (JIS-6), have been prepared under ionothermal conditions using ionic liquid 1-ethyl-3-methylimidazolium ([Emim]Br) as the solvent. They are the first examples of metalloborophosphate prepared by the ionothermal method. Their structures are determined by single-crystal X-ray diffraction. The 3-D open framework of JIS-4 is made of CoO5Cl octahedra, CoO5 square pyramids, and PO4 and BO4 tetrahedra forming 12-ring channels along the  direction. It is noted that JIS-4 is the first 3-D open-framework structure in the family of borophosphate with the B/P ratio of 2/5, which features a borophosphate cluster anionic partial structure. Such cluster anionic partial structures connect with MnO6 octahedra and MnO5 trigonal bipyramids resulting in the formation of the 2-D layer structure of JIS-5 with the same B/P ratio as JIS-4. The 2-D layer structure of JIS-6 belongs to the largest family of borophosphate with a B/P ratio of 1/2 which features a unique 1-D chain anionic partial structure. Crystal data for JIS-4, orthorhombic, Pnma, a = 14.0638(8) Å, b = 9.8813(7) Å, c = 14.0008(10) Å, V = 1945.7(2) Å3, and Z = 2; for JIS-5, monoclinic, P21/n, a = 14.4939(3) Å, b = 9.2539(3) Å, c = 14.8031(4) Å, β = 101.4600(10)°, V = 1945.88(9) Å3, and Z = 4. For JIS-6, triclinic, P1, a = 9.6928(3) Å, b = 9.8747(3) Å, c = 10.0125(2) Å, α = 62.057(2)°, β = 82.456(2)°, γ = 76.095(2)°, V = 821.60(4) Å3, and Z = 1.