#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:52:44 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168727 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539723.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_1539723 loop_ _publ_author_name 'Bernet, K.' 'Hoppe, R.' _publ_section_title ; Zur Kristallstruktur von K4(SiO4) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 129 _journal_page_last 138 _journal_volume 589 _journal_year 1990 _chemical_formula_sum 'K4 O4 Si' _chemical_name_systematic 'K4 (Si O4)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 112.83 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.37 _cell_length_b 6.392 _cell_length_c 10.366 _cell_volume 633.283 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Bernet_ZAACAB_1990_1353.cif _cod_data_source_block K4O4Si1 _cod_original_cell_volume 633.2826 _cod_chemical_formula_sum_orig 'K4 O4 Si1' _cod_database_code 1539723 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-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 O4 O-2 0.9072 0.7343 0.5285 1 0.0 K2 K+1 0.8431 0.1138 0.4184 1 0.0 Si1 Si+4 0.758 0.8706 0.0106 1 0.0 O3 O-2 0.6449 0.8191 0.4892 1 0.0 K4 K+1 0.6314 0.1666 0.6091 1 0.0 K1 K+1 0.426 0.1826 0.7951 1 0.0 O1 O-2 0.2192 0.9987 0.8466 1 0.0 K3 K+1 0.0648 0.0929 0.2007 1 0.0 O2 O-2 0.3019 0.5237 0.6268 1 0.0