#------------------------------------------------------------------------------ #$Date: 2016-01-26 12:51:33 +0200 (Tue, 26 Jan 2016) $ #$Revision: 175083 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010617.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_1010617 loop_ _publ_author_name 'Clark, G. L.' 'Reynolds, D. A.' _publ_section_title ; The crystal structure of zinc meta-antimonate Zn(Sb O~3~)~2~ ; _journal_coden_ASTM ZEKGAX _journal_issue 1-6 _journal_name_full ; Zeitschrift f\"ur Kristallographie - Crystalline Materials ; _journal_page_first 185 _journal_page_last 190 _journal_paper_doi 10.1524/zkri.1938.98.1.185 _journal_volume 98 _journal_year 1938 _chemical_formula_structural 'Zn (Sb O3)2' _chemical_formula_sum 'O6 Sb2 Zn' _chemical_name_systematic 'Zinc catena-antimonate' _space_group_IT_number 118 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 118 _symmetry_space_group_name_Hall 'P -4 -2n' _symmetry_space_group_name_H-M 'P -4 n 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.585 _cell_length_b 6.585 _cell_length_c 6.585 _cell_volume 285.5 _database_code_amcsd 0017499 _cod_database_code 1010617 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,1/2+z -y,x,-z 1/2+y,1/2+x,1/2-z -x,-y,z 1/2+x,1/2-y,1/2+z y,-x,-z 1/2-y,1/2-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 Zn1 Zn2+ 2 a 0. 0. 0. 1. 0 d Sb1 Sb5+ 4 f 0.34 0.16 0.25 1. 0 d O1 O2- 4 ? -1. -1. -1. 3. 0 dum loop_ _atom_type_symbol _atom_type_oxidation_number Zn2+ 2.000 Sb5+ 5.000 O2- -2.000