#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007053.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_1007053 loop_ _publ_author_name 'Boudjada, A' 'Durif, A' 'Guitel, J C' _publ_section_title ; Structure d'un Orthoarsenate Acide de Cadmium: Cd H~10~ (As O~4~)~4~ ; _journal_coden_ASTM ACBCAR _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 133 _journal_page_last 135 _journal_paper_doi 10.1107/S0567740880002609 _journal_volume 36 _journal_year 1980 _chemical_formula_structural 'Cd H10 (As O4)4' _chemical_formula_sum 'As4 Cd H10 O16' _chemical_name_systematic 'Cadmium decahydrogentetrakis(arsenate)' _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 105.17(1) _cell_angle_beta 95.13(5) _cell_angle_gamma 91.85(8) _cell_formula_units_Z 1 _cell_length_a 5.69(5) _cell_length_b 7.42(4) _cell_length_c 8.60(6) _cell_volume 348.4 _refine_ls_R_factor_all 0.056 _[local]_cod_chemical_formula_sum_orig 'H10 As4 Cd O16' _cod_database_code 1007053 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-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 As1 As5+ 2 i 0.13564(9) 0.45813(8) 0.25314(8) 1. 0 d As2 As5+ 2 i 0.47588(9) 0.05485(8) 0.77083(8) 1. 0 d Cd1 Cd2+ 1 a 0. 0. 0. 1. 0 d O1 O2- 2 i 0.9380(7) 0.2825(5) 0.1742(6) 1. 0 d O2 O2- 2 i 0.0145(7) 0.6667(5) 0.2889(6) 1. 0 d O3 O2- 2 i 0.3550(7) 0.4726(5) 0.1332(5) 1. 0 d O4 O2- 2 i 0.2613(7) 0.4465(6) 0.4372(6) 1. 0 d O5 O2- 2 i 0.7661(6) 0.1547(5) 0.8017(5) 1. 0 d O6 O2- 2 i 0.4186(7) 0.8219(6) 0.6921(6) 1. 0 d O7 O2- 2 i 0.3253(6) 0.1312(5) 0.9283(5) 1. 0 d O8 O2- 2 i 0.3840(7) 0.1594(6) 0.6214(5) 1. 0 d H1 H1+ 2 i -1. -1. -1. 5. 0 dum loop_ _atom_type_symbol _atom_type_oxidation_number As5+ 5.000 Cd2+ 2.000 O2- -2.000 H1+ 1.000