#------------------------------------------------------------------------------ #$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532813.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_1532813 loop_ _publ_author_name 'Buvaneswari, G.' 'Govindan Kutty, K.V.' 'Varadaraju, U.V.' _publ_section_title ; Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 475 _journal_page_last 488 _journal_volume 39 _journal_year 2004 _chemical_formula_sum 'Fe O12 P3 Sn Sr' _chemical_name_systematic 'Sr Fe Sn (P O4)3' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 8.398 _cell_length_b 8.398 _cell_length_c 22.874 _cell_volume 1397.090 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Buvaneswari_MRBUAC_2004_1939.cif _cod_data_source_block Fe1O12P3Sn1Sr1 _cod_original_cell_volume 1397.09 _cod_original_formula_sum 'Fe1 O12 P3 Sn1 Sr1' _cod_database_code 1532813 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 O4 O-2 0.813 0.79 0.588 1 0.0 Sr2 Sr+2 0 0 0.5 1 0.0 O2 O-2 0.038 0.832 0.7 1 0.0 Fe1 Fe+3 0 0 0.1485 1 0.0 Sr1 Sr+2 0 0 0 1 0.0 O3 O-2 0.187 0.118 0.101 1 0.0 O1 O-2 0.147 -0.056 0.19 1 0.0 P1 P+5 0.288 -0.007 0.2452 1 0.0 Sn1 Sn+4 0 0 0.6505 1 0.0