#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:02:19 +0200 (Sat, 09 Jan 2016) $ #$Revision: 173909 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542005.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_1542005 loop_ _publ_author_name 'Maksimov, B.A.' 'Ilyukhin, V.V.' 'Belov, N.V.' _publ_section_title ; Crystal Structure of Potassium Yttrium Triorthosilicate ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 591 _journal_page_last 594 _journal_volume 181 _journal_year 1968 _chemical_formula_sum 'H2 K3 O10 Si3 Y' _chemical_name_systematic 'K3 Y Si3 O8 (O H)2' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2bc 2a' _symmetry_space_group_name_H-M 'P m n b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.536 _cell_length_b 13.17 _cell_length_c 5.867 _cell_volume 1045.905 _citation_journal_id_ASTM DANKAS _cod_data_source_file Maksimov_DANKAS_1968_567.cif _cod_data_source_block H2K3O10Si3Y1 _cod_cif_authors_sg_Hall '-P 2ac 2n (y,-x,z)' _cod_chemical_formula_sum_orig 'H2 K3 O10 Si3 Y1' _cod_database_code 1542005 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 x+1/2,-y,-z -x,-y,-z x,y-1/2,-z-1/2 x-1/2,-y-1/2,z-1/2 -x-1/2,y,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 Si1 Si+4 0.396 0.401 0.089 1 0.0 O3 O-2 0.017 0.129 0.581 1 0.0 O2 O-2 -0.131 0.045 0.832 1 0.0 K1 K+1 0.25 0.129 0.412 1 0.0 Si2 Si+4 0.75 0.252 0.418 1 0.0 O4 O-2 -0.156 0.212 0.57 1 0.0 O1 O-2 -0.131 0.031 0.368 1 0.0 O6 O-2 0.75 0.375 0.434 1 0.0 O5 O-2 0.75 0.205 0.164 1 0.0 Y1 Y+3 0.75 0.041 0.089 1 0.0 K2 K+1 0.485 0.139 0.091 1 0.0