#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/55/1525595.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_1525595 loop_ _publ_author_name 'Azrour, M.' 'El Ammari, L.' 'le Fur, Y.' 'Elouadi, B.' _publ_section_title ; Synthesis and crystal structure of a noncentrosymmetric form of potassium strontium monovanadate K Sr V O4 ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 263 _journal_page_last 270 _journal_volume 35 _journal_year 2000 _chemical_formula_sum 'K O4 Sr V' _chemical_name_systematic 'K Sr (V O4)' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.865 _cell_length_b 7.491 _cell_length_c 10.021 _cell_volume 440.270 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Azrour_MRBUAC_2000_312.cif _cod_data_source_block K1O4Sr1V1 _cod_original_cell_volume 440.2698 _cod_original_formula_sum 'K1 O4 Sr1 V1' _cod_database_code 1525595 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,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 K1 K+1 0.5135 0.5927 0.92138 1 0.0 Sr1 Sr+2 0.98218 0.24903 0.80073 1 0.0 O2 O-2 0.263 -0.019 0.8321 1 0.0 O3 O-2 0.0601 0.2532 0.0644 1 0.0 O1 O-2 0.7424 -0.0551 0.8273 1 0.0 V1 V+5 0.0134 0.47531 0.08366 1 0.0 O4 O-2 0.006 0.5681 -0.0754 1 0.0