#------------------------------------------------------------------------------ #$Date: 2015-07-10 15:27:30 +0300 (Fri, 10 Jul 2015) $ #$Revision: 142354 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522134.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_1522134 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 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.7695 _cell_length_b 5.349 _cell_length_c 9.1817 _cell_volume 430.696 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Wallez_MRBUAC_1999_499.cif _cod_data_source_block K1O4P1Zn1 _cod_original_cell_volume 430.6957 _cod_chemical_formula_sum_orig 'K1 O4 P1 Zn1' _cod_database_code 1522134 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-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 O1 O-2 0.7092 0.051 0.477 0.5 0.0 O2 O-2 0.242 0.665 0.2704 0.5 0.0 O3 O-2 0.961 0.25 0.539 1 0.0 Zn1 Zn+2 0.674 0.25 0.9185 1 0.0 K1 K+1 0.0051 0.25 0.1912 1 0.0 P1 P+5 0.7899 0.25 0.5725 1 0.0 O4 O-2 0.7092 0.501 0.538 0.5 0.0