#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/57/1525730.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_1525730 loop_ _publ_author_name 'Callejas, G.' 'Crespo, P.' 'Cabrera, S.' 'Blanco, M.' 'Choque, V.' 'Prieto, O.' 'Luna, I.' _publ_section_title ; Simulacion de la estructura cristalina de la fase La P O4 monacita de baja temperatura a partir de difractogramas de rayos X de polvo ; _journal_name_full 'Revista Boliviana de Quimica' _journal_page_first 22 _journal_page_last 27 _journal_volume 17 _journal_year 2000 _chemical_formula_sum 'La O4 P' _chemical_name_systematic 'La (P O4)' _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 103.322 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.8413 _cell_length_b 7.078 _cell_length_c 6.5153 _cell_volume 306.999 _citation_journal_id_ASTM RBQUDX _cod_data_source_file Callejas_RBQUDX_2000_533.cif _cod_data_source_block La1O4P1 _cod_original_cell_volume 306.9989 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'La1 O4 P1' _cod_database_code 1525730 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 La1 La+3 0.2797 0.1641 0.0883 1 0.0 O3 O-2 0.503 0.092 0.7297 1 0.0 P1 P+5 0.2997 0.1499 0.6561 1 0.0 O4 O-2 0.0953 0.2154 0.6801 1 0.0 O2 O-2 0.3388 0.3562 0.4731 1 0.0 O1 O-2 0.2417 0.0445 0.4046 1 0.0