#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002646.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_2002646 _chemical_name_systematic 'Strontium dicobalt bis(arsenate(V))' _chemical_formula_structural 'Sr Co2 (As O4)2' _chemical_formula_sum 'As2 Co2 O8 Sr' _publ_section_title ; Zur Kenntnis von Sr Co2 V2 O8 und Sr Co2 (As O4)2 ; loop_ _publ_author_name 'Osterloh, D' 'Mueller-Buschbaum, Hk' _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_volume 49 _journal_year 1994 _journal_page_first 923 _journal_page_last 926 _cell_length_a 5.713(7) _cell_length_b 6.901(7) _cell_length_c 9.417(11) _cell_angle_alpha 110.48(9) _cell_angle_beta 101.43(6) _cell_angle_gamma 99.13(5) _cell_volume 330.2 _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 Co2+ 2.000 As5+ 5.000 O2- -2.000 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 0.7466(1) 0.7937(1) 0.5529(1) 1. 0 d Co1 Co2+ 2 i 0.1376(2) 0.8588(2) 0.0583(1) 1. 0 d Co2 Co2+ 2 i 0.4862(2) 0.4057(2) 0.1469(1) 1. 0 d As1 As5+ 2 i 0.6592(1) 0.9791(1) 0.2029(1) 1. 0 d As2 As5+ 2 i 0.1016(1) 0.5769(1) 0.2610(1) 1. 0 d O1 O2- 2 i 0.123(1) 0.404(1) 0.086(1) 1. 0 d O2 O2- 2 i 0.501(1) 0.722(1) 0.083(1) 1. 0 d O3 O2- 2 i 0.896(1) 0.060(1) 0.135(1) 1. 0 d O4 O2- 2 i 0.441(1) 0.122(1) 0.184(1) 1. 0 d O5 O2- 2 i 0.159(1) 0.824(1) 0.264(1) 1. 0 d O6 O2- 2 i 0.826(1) 0.522(1) 0.298(1) 1. 0 d O7 O2- 2 i 0.765(1) 0.021(1) 0.319(1) 1. 0 d O8 O2- 2 i 0.355(1) 0.544(1) 0.383(1) 1. 0 d _refine_ls_R_factor_all 0.052