#------------------------------------------------------------------------------ #$Date: 2016-01-03 13:29:55 +0200 (Sun, 03 Jan 2016) $ #$Revision: 173065 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104353.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_8104353 loop_ _publ_author_name 'Blase, W.' 'Cordier, G.' 'Somer, M.' _publ_section_title ; Crystal structure of cesium catena-di-mue-phosphidoindate di-mue-phosphido-bis(phosphidoindate), Cs12 (In P2)2 (In2 P4) ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 123 _journal_page_last 124 _journal_volume 195 _journal_year 1991 _chemical_formula_sum 'Cs12 In4 P8' _chemical_name_systematic 'Cs12 (In P2)2 (In2 P4)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 81.08 _cell_angle_beta 81.55 _cell_angle_gamma 70.66 _cell_formula_units_Z 2 _cell_length_a 9.662 _cell_length_b 12.884 _cell_length_c 15.84 _cell_volume 1828.381 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Blase_ZEKRDZ_1991_1439.cif _cod_data_source_block Cs12In4P8 _cod_database_code 8104353 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cs2 Cs+1 0.41421 0.98356 -0.19031 1 0.0 In2 In+3 -0.33605 0.89411 -0.01246 1 0.0 P2 P-3 0.4649 0.919 -0.58685 1 0.0 In1 In+3 -0.08387 0.64435 -0.00957 1 0.0 Cs3 Cs+1 0.40504 0.33377 -0.183 1 0.0 Cs5 Cs+1 0.53538 0.64783 -0.08745 1 0.0 P5 P-3 -0.20004 0.78239 -0.14204 1 0.0 Cs1 Cs+1 0.04255 0.48677 0.20086 1 0.0 P1 P-3 -0.60775 0.89049 0.03881 1 0.0 In3 In+3 0.36101 0.976 -0.43769 1 0.0 P6 P-3 1.09121 0.54883 -0.41667 1 0.0 Cs9 Cs+1 0.26976 1.22752 -0.6448 1 0.0 Cs10 Cs+1 0.4831 1.36461 -0.46178 1 0.0 Cs6 Cs+1 -0.21286 1.04104 -0.24782 1 0.0 Cs8 Cs+1 0.1112 0.83366 -0.51634 1 0.0 Cs7 Cs+1 0.2234 0.6907 -0.115 1 0.0 P7 P-3 0.15217 0.95503 -0.33976 1 0.0 P3 P-3 -0.14257 0.79279 0.09908 1 0.0 In4 In+3 0.8646 0.48605 -0.42733 1 0.0 P4 P-3 0.19314 0.52498 -0.03934 1 0.0 Cs12 Cs+1 0.06475 0.901 -0.08513 1 0.0 P8 P-3 0.66045 0.47811 -0.31962 1 0.0 Cs11 Cs+1 0.23601 0.66966 -0.26369 1 0.0 Cs4 Cs+1 0.14726 1.23457 -0.32557 1 0.0