#------------------------------------------------------------------------------ #$Date: 2015-07-13 02:31:51 +0300 (Mon, 13 Jul 2015) $ #$Revision: 148618 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343746.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_4343746 loop_ _publ_author_name 'Burns, R.C.' 'Gillespie, R.J.' 'Chan, W.L.' 'Slim, D.R.' 'Sawyer, J.F.' 'Luk, W.C.' _publ_section_title ; Preparation and Characterization of Se10 (As F6)2, Se10 (Sb F6)2, and Se10 (Al Cl4)2 and Crystal Structure of Se10 (Sb F6)2 ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1432 _journal_page_last 1439 _journal_volume 19 _journal_year 1980 _chemical_formula_sum 'F12 Sb2 Se10' _chemical_name_systematic 'Se10 (Sb F6)2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 109.24 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 19.869 _cell_length_b 16.2 _cell_length_c 13.282 _cell_volume 4036.397 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Burns_INOCAJ_1980_1011.cif _cod_data_source_block F12Sb2Se10 _cod_database_code 4343746 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 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 F19 F-1 0.2797 0.1651 0.114 1 0.0 Se9 Se 0.4547 0.7394 -0.1517 1 0.0 Sb4 Sb+5 0.3629 0.0975 0.1628 1 0.0 Se10 Se 0.3992 0.6182 -0.1544 1 0.0 F3 F-1 0.8636 0.3222 0.0589 1 0.0 Se6 Se 0.2885 0.6609 -0.1326 1 0.0 Se12 Se 0.9675 0.8858 0.1429 1 0.0 F10 F-1 0.1541 0.9516 0.1697 1 0.0 Sb2 Sb+5 0.1438 0.9025 0.0434 1 0.0 F21 F-1 0.4017 0.146 0.0721 1 0.0 F11 F-1 0.182 0.9939 0.0001 1 0.0 F5 F-1 0.7748 0.4146 -0.0913 1 0.0 F1 F-1 0.8394 0.4875 0.9956 1 0.0 Sb1 Sb+5 0.8697 0.4249 -0.0032 1 0.0 F9 F-1 0.2347 0.8531 0.1068 1 0.0 Se8 Se 0.4486 0.662 0.1024 1 0.0 Se19 Se 0.9545 0.6573 0.0961 1 0.0 F2 F-1 0.9662 0.433 0.0812 1 0.0 F18 F-1 0.445 0.44 0.0565 1 0.0 F17 F-1 0.2832 0.4027 0.1307 1 0.0 F24 F-1 0.3275 0.0255 0.0525 1 0.0 F13 F-1 0.3523 0.3411 0.0123 1 0.0 Se16 Se 0.7984 0.6513 0.1829 1 0.0 Se2 Se 0.466 0.889 0.0659 1 0.0 Se15 Se 0.7663 0.7797 0.2525 1 0.0 Se3 Se 0.4041 0.9305 -0.102 1 0.0 F8 F-1 0.0529 0.9501 -0.0175 1 0.0 Se17 Se 0.9092 0.6149 0.314 1 0.0 F4 F-1 0.8751 0.5271 -0.0646 1 0.0 F7 F-1 0.138 0.8443 -0.0851 1 0.0 F15 F-1 0.3805 0.5192 0.18 1 0.0 F6 F-1 0.8958 0.3715 -0.1084 1 0.0 F16 F-1 0.4186 0.3592 0.2191 1 0.0 F23 F-1 0.321 0.0425 0.247 1 0.0 Se5 Se 0.2625 0.7871 -0.2373 1 0.0 F14 F-1 0.3202 0.487 -0.019 1 0.0 Se7 Se 0.3388 0.7185 0.0448 1 0.0 Se4 Se 0.2873 0.892 -0.1177 1 0.0 Se20 Se 0.8436 0.7073 0.048 1 0.0 Se18 Se 0.9618 0.7396 0.3562 1 0.0 Se11 Se 1.021 0.7565 0.2244 1 0.0 F22 F-1 0.3888 0.1721 0.2739 1 0.0 Se14 Se 0.7875 0.8794 0.1481 1 0.0 Sb3 Sb+5 0.3666 0.4244 0.0975 1 0.0 Se1 Se 0.5175 0.7596 0.0397 1 0.0 Se13 Se 0.9028 0.9267 0.2451 1 0.0 F12 F-1 0.0972 0.8095 0.0843 1 0.0 F20 F-1 0.4443 0.0245 0.2207 1 0.0