#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/55/1525584.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_1525584 loop_ _publ_author_name 'Arbi, K.' 'Ben Hassan-Chehimi, D.' 'Trabelsi-Ayadi, M.' 'Silvestre, J.P.' _publ_section_title ; Structure refinement of potassium-samarium cyclotetraphosphate K Sm P4 O12 ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 1533 _journal_page_last 1539 _journal_volume 35 _journal_year 2000 _chemical_formula_sum 'K O12 P4 Sm' _chemical_name_systematic 'K Sm (P4 O12)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 110.78 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.861 _cell_length_b 12.415 _cell_length_c 10.569 _cell_volume 964.376 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Arbi_MRBUAC_2000_294.cif _cod_data_source_block K1O12P4Sm1 _cod_original_cell_volume 964.3765 _cod_original_formula_sum 'K1 O12 P4 Sm1' _cod_database_code 1525584 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-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 P2 P+5 0.4585 0.6707 0.5008 1 0.0 Sm1 Sm+3 0 0.6199 0.25 1 0.0 O6 O-2 0.4301 0.5723 0.5869 1 0.0 O2 O-2 0.56 0.7554 0.5979 1 0.0 O4 O-2 0.2186 0.4741 0.6744 1 0.0 P1 P+5 0.2833 0.4775 0.5592 1 0.0 O1 O-2 0.1508 0.4872 0.4181 1 0.0 K1 K+1 0 0.3161 0.25 1 0.0 O5 O-2 0.4068 0.3742 0.5714 1 0.0 O3 O-2 0.2901 0.7009 0.3874 1 0.0