#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/65/1536530.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_1536530 loop_ _publ_author_name 'Peschel, B.' 'Babel, D.' 'Molinier, M.' _publ_section_title ; Kristallstrukturbestimmungen an vier monoklinen Weberiten Na2 M(II) M(III) F7 (M(II)=Fe, Co; M(III)= V, Cr) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1573 _journal_page_last 1581 _journal_volume 621 _journal_year 1995 _chemical_formula_sum 'Co F7 Na2 V' _chemical_name_systematic 'Na2 (Co V F7)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 100.02 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 12.703 _cell_length_b 7.391 _cell_length_c 24.651 _cell_volume 2279.128 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Peschel_ZAACAB_1995_1796.cif _cod_data_source_block Co1F7Na2V1 _cod_original_formula_sum 'Co1 F7 Na2 V1' _cod_database_code 1536530 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-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 F9 F-1 0.27752 0.1841 0.15347 1 0.0 F3 F-1 0.48519 0.2118 0.14153 1 0.0 F11 F-1 0.33125 0.4574 0.03288 1 0.0 F13 F-1 0.16613 0.8031 0.20441 1 0.0 V1 V+3 0.25 0.25 0 1 0.0 F12 F-1 0.08166 0.0587 0.29121 1 0.0 Na2 Na+1 0 0.5 0 1 0.0 Na5 Na+1 0.25313 0.0387 0.25188 1 0.0 Na3 Na+1 0.25 0.25 0.5 1 0.0 Na4 Na+1 0.5 0.278 0.25 1 0.0 Na6 Na+1 0.37379 0.5085 0.1216 1 0.0 F1 F-1 0.3366 0.08 0.04716 1 0.0 Co2 Co+2 0.12665 0.26038 0.12599 1 0.0 Na1 Na+1 0 0 0 1 0.0 Co1 Co+2 0.37735 0.00858 0.12756 1 0.0 F8 F-1 0.17967 0.517 0.14106 1 0.0 V3 V+3 0.12625 0.76163 0.12568 1 0.0 F14 F-1 0.08708 0.7222 0.04707 1 0.0 F10 F-1 -0.02443 0.3335 0.10013 1 0.0 F2 F-1 0.4195 -0.0578 0.20912 1 0.0 F6 F-1 0.11284 0.2507 0.20632 1 0.0 F5 F-1 0.1414 0.276 0.04586 1 0.0 F7 F-1 0.07178 0.005 0.10998 1 0.0 F4 F-1 0.26819 -0.1918 0.11114 1 0.0 V2 V+3 0 0.24702 0.25 1 0.0