#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/89/1008982.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_1008982 _chemical_name_systematic 'Chromium arsenide antimonide (1/0.67/0.33)' _chemical_formula_structural 'Cr (As0.67 Sb0.33)' _chemical_formula_sum 'As0.67 Cr Sb0.33' _[local]_cod_chemical_formula_sum_orig 'As.67 Cr Sb.33' _publ_section_title ; Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx ; loop_ _publ_author_name 'Kallel, A' 'Boller, H' 'Bertaut, E F' _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_coden_ASTM JPCSAW _journal_volume 35 _journal_year 1974 _journal_page_first 1139 _journal_page_last 1152 _cell_length_a 5.745 _cell_length_b 3.699 _cell_length_c 6.406 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 136.1 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P n m a' _symmetry_Int_Tables_number 62 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2-z' '-x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Cr3+ 3.000 As3- -3.000 Sb3- -3.000 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 Cr1 Cr3+ 4 c 0.004(4) 0.25 0.214(8) 1. 0 d As1 As3- 4 c 0.219(2) 0.25 0.589(8) 0.67 0 d Sb1 Sb3- 4 c 0.219(2) 0.25 0.589(8) 0.33 0 d _refine_ls_R_factor_all 0.03 _cod_database_code 1008982