#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:06:16 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164600 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536754.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_1536754 loop_ _publ_author_name 'Yakubovich, O.V.' 'Simonov, M.A.' 'Mel'nikov, O.K.' _publ_section_title ; Crystal structure of CsMnPO4 ; _journal_name_full Kristallografiya _journal_page_first 42 _journal_page_last 46 _journal_volume 35 _journal_year 1990 _chemical_formula_sum 'Cs Mn O4 P' _chemical_name_systematic 'Cs Mn P O4' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.128 _cell_length_b 9.575 _cell_length_c 5.595 _cell_volume 489.006 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Yakubovich_KRISAJ_1990_955.cif _cod_data_source_block Cs1Mn1O4P1 _cod_original_cell_volume 489.0063 _cod_chemical_formula_sum_orig 'Cs1 Mn1 O4 P1' _cod_database_code 1536754 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,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 O3 O-2 0.683 -0.029 0.919 0.3 0.0 O2 O-2 0.239 0.996 0.464 0.7 0.0 O7 O-2 0.199 0.777 0.181 0.5 0.0 Mn1 Mn+2 0.1688 0.5804 0.243 1 0.0 O4 O-2 0.283 0.758 0.308 0.5 0.0 O6 O-2 0.45 0.972 0.317 0.5 0.0 O1 O-2 0.225 0.963 0.021 1 0.0 P1 P+5 0.2969 0.9097 0.243 1 0.0 Cs1 Cs+1 0.0071 0.19447 0.25 1 0.0 O5 O-2 0.454 0.844 0.263 0.5 0.0