#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/1/1008038.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_1008038 _chemical_name_systematic 'Strontium bis(dihydrogenarsenate)' _chemical_formula_structural 'Sr (H2 As O4)2' _chemical_formula_sum 'As2 H4 O8 Sr' _[local]_cod_chemical_formula_sum_orig 'H4 As2 O8 Sr' _publ_section_title ; Structure cristalline du monoarseniate diacide de strontium Sr (H~2~ As O~4~)~2~ ; loop_ _publ_author_name 'Boudjada, A' _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_coden_ASTM ACBCAR _journal_volume 35 _journal_year 1979 _journal_page_first 1050 _journal_page_last 1052 _cell_length_a 8.707(2) _cell_length_b 7.872(3) _cell_length_c 5.939(1) _cell_angle_alpha 86.354(6) _cell_angle_beta 110.335 _cell_angle_gamma 112.241(6) _cell_volume 352.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 As5+ 5.000 O2- -2.000 H1+ 1.000 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 Sr1 Sr2+ 2 i 0.08550(5) 0.19660(5) 0.26706(7) 1. 0 d As1 As5+ 2 i 0.34850(6) 0.24243(6) -0.14075(8) 1. 0 d As2 As5+ 2 i 0.19358(6) 0.76737(6) 0.36348(8) 1. 0 d O1 O2- 2 i 0.1816(4) 0.0648(4) -0.3150(6) 1. 0 d O2 O2- 2 i 0.3852(4) 0.3994(4) -0.3517(6) 1. 0 d O3 O2- 2 i 0.5476(5) 0.2095(5) 0.0276(6) 1. 0 d O4 O2- 2 i 0.3205(4) 0.3310(4) 0.0811(6) 1. 0 d O5 O2- 2 i 0.0554(5) 0.6675(4) 0.5515(7) 1. 0 d O6 O2- 2 i 0.1311(4) 0.9070(4) 0.1651(6) 1. 0 d O7 O2- 2 i 0.1787(5) 0.5774(5) 0.2089(6) 1. 0 d O8 O2- 2 i 0.4013(4) 0.8608(5) 0.5619(6) 1. 0 d H1 H1+ 2 i -1. -1. -1. 4. 0 dum _refine_ls_R_factor_all 0.024 _cod_database_code 1008038