#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522133.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_1522133 loop_ _publ_author_name 'Wallez, G.' 'Lucas, F.' 'Souron, J.P.' 'Quarton, M.' _publ_section_title ; Potassium-zinc monophosphate: an original polymorphic tridymite derivate ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 1251 _journal_page_last 1261 _journal_volume 34 _journal_year 1999 _chemical_formula_sum 'K O4 P Zn' _chemical_name_systematic 'K Zn (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 8.7305 _cell_length_b 9.1651 _cell_length_c 5.3539 _cell_volume 428.397 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Wallez_MRBUAC_1999_498.cif _cod_data_source_block K1O4P1Zn1 _cod_original_cell_volume 428.3972 _cod_original_formula_sum 'K1 O4 P1 Zn1' _cod_database_code 1522133 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 K1 K+1 0.0027 0.1918 0 1 0.0 P1 P+5 0.2046 0.414 0.526 1 0.0 O2 O-2 0.271 0.272 0.425 1 0.0 O1 O-2 0.72 0.553 0.284 1 0.0 Zn1 Zn+2 0.3246 0.0812 0.5164 1 0.0 O3 O-2 0.0351 0.396 0.551 1 0.0 O4 O-2 0.75 0.457 0.862 1 0.0