#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:01:54 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154819 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529907.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_1529907 loop_ _publ_author_name 'Engel, G.' _publ_section_title ; Die Kristallstruktur von Cd2 As O4 F und ihre Beziehung zu einer Reihe von Oxidsilicaten und Oxidgermanaten der Seltenen Erden ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 367 _journal_page_last 374 _journal_volume 154 _journal_year 1989 _chemical_formula_sum 'As Cd2 F O4' _chemical_name_systematic 'Cd2 (As O4) F' _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 120.4 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 14.195 _cell_length_b 6.847 _cell_length_c 10.694 _cell_volume 896.483 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Engel_JCOMAH_1989_1827.cif _cod_data_source_block As1Cd2F1O4 _cod_original_cell_volume 896.4827 _cod_chemical_formula_sum_orig 'As1 Cd2 F1 O4' _cod_database_code 1529907 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 O4 O-2 0.37 0.2884 0.1436 1 0.0 O1 O-2 0.3062 0.0867 0.5785 1 0.0 Cd2 Cd+2 0.34617 0.39442 0.65118 1 0.0 O3 O-2 0.4175 0.0343 0.3639 1 0.0 Cd1 Cd+2 0.05219 0.26113 0.98996 1 0.0 O2 O-2 0.2046 0.1491 0.1848 1 0.0 F1 F-1 0.0119 0.0896 0.3904 1 0.0 As1 As+5 0.17716 0.40601 0.80698 1 0.0