#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/23/1532381.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_1532381 loop_ _publ_author_name 'Xun, X.' 'Sleight, A.W.' 'Uma, S.' _publ_section_title ; Synthesis and structure of Bi Mn P O5 ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 51 _journal_page_last 53 _journal_volume 338 _journal_year 2002 _chemical_formula_sum 'Bi Mn O5 P' _chemical_name_systematic 'Bi Mn (P O4) O' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 109.19 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.4339 _cell_length_b 11.356 _cell_length_c 5.3577 _cell_volume 427.161 _citation_journal_id_ASTM JALCEU _cod_data_source_file Xun_JALCEU_2002_481.cif _cod_data_source_block Bi1Mn1O5P1 _cod_original_cell_volume 427.1614 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_original_formula_sum 'Bi1 Mn1 O5 P1' _cod_database_code 1532381 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-y-1/2,z-1/2 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 O5 O-2 0.0951 0.3272 -0.016 1 0.0 O2 O-2 -0.0138 0.228 0.317 1 0.0 O4 O-2 0.9845 0.0223 0.749 1 0.0 Bi1 Bi+3 0.1872 0.0952 0.1199 1 0.0 O3 O-2 0.8271 0.4181 0.1091 1 0.0 Mn1 Mn+2 0.809 0.0887 0.364 1 0.0 O1 O-2 0.1605 0.4224 0.4326 1 0.0 P1 P+5 0.0185 0.3514 0.208 1 0.0