#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/07/1530732.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_1530732 loop_ _publ_author_name 'Scott, H.G.' _publ_section_title ; Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 171 _journal_page_last 180 _journal_volume 66 _journal_year 1987 _chemical_formula_sum 'Mn O6 Sb2' _chemical_name_systematic 'Mn (Sb2 O6)' _space_group_IT_number 150 _symmetry_space_group_name_Hall 'P 3 2"' _symmetry_space_group_name_H-M 'P 3 2 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 8.8054 _cell_length_b 8.8054 _cell_length_c 4.7229 _cell_volume 317.130 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Scott_JSSCBI_1987_1379.cif _cod_data_source_block Mn1O6Sb2 _cod_original_cell_volume 317.1302 _cod_original_formula_sum 'Mn1 O6 Sb2' _cod_database_code 1530732 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Sb2 Sb+5 0.3333 0.6667 0.509 1 0.0 O1 O-2 0.095 -0.115 0.766 1 0.0 Mn1 Mn+2 0.632 0 0 1 0.0 O3 O-2 0.229 -0.232 0.279 1 0.0 Sb3 Sb+5 0.305 0 0.5 1 0.0 Sb1 Sb+5 0 0 0 1 0.0 O2 O-2 0.474 -0.408 0.744 1 0.0