#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/01/1010153.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_1010153 loop_ _publ_author_name 'Schrewelius, N' _publ_section_title ; Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe ; _journal_coden_ASTM ZAACAB _journal_name_full ; Zeitschrift fuer Anorganische und Allgemeine Chemie ; _journal_page_first 241 _journal_page_last 254 _journal_paper_doi 10.1002/zaac.19382380209 _journal_volume 238 _journal_year 1938 _chemical_formula_structural 'Ag Sb (O H)6' _chemical_formula_sum 'Ag H6 O6 Sb' _chemical_name_systematic 'Silver hexahydroxoantimonate' _space_group_IT_number 86 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall '-P 4bc' _symmetry_space_group_name_H-M 'P 42/n :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.12 _cell_length_b 8.12 _cell_length_c 7.91 _cell_volume 521.5 _cod_original_sg_symbol_H-M 'P 42/n Z' _cod_original_formula_sum 'H6 Ag O6 Sb' _cod_database_code 1010153 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2-y,z -y,1/2+x,1/2+z 1/2+y,-x,1/2+z -x,-y,-z 1/2+x,1/2+y,-z y,1/2-x,1/2-z 1/2-y,x,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ag1 Ag1+ 4 d 0. 0. 0.5 1. 0 d Sb1 Sb5+ 4 c 0. 0. 0. 1. 0 d O1 O2- 8 g 0.28 0.025 0.34 1. 1 d O2 O2- 8 g 0.025 0.28 0.34 1. 1 d O3 O2- 8 g 0.175 0.175 0.025 1. 1 d loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Sb5+ 5.000 O2- -2.000 H1+ 1.000