#------------------------------------------------------------------------------ #$Date: 2016-10-21 03:34:25 +0300 (Fri, 21 Oct 2016) $ #$Revision: 187463 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544332.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_1544332 loop_ _publ_author_name 'Liu, X.' 'Kanzaki, M.' 'Xue, X.' _publ_section_title ; Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 467 _journal_page_last 478 _journal_volume 40 _journal_year 2013 _chemical_formula_sum 'O4 Si Zn2' _chemical_name_common 'Zn2SiO4 IV' _chemical_name_mineral 'Zn2SiO4 IV' _space_group_IT_number 61 _space_group_name_H-M_alt 'P b c a' _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.9179(4) _cell_length_b 9.6728(4) _cell_length_c 6.1184(2) _cell_volume 646.14(4) _cod_data_source_file Zn2SiO4-IV.cif _cod_data_source_block Zn2SiO4_IV _cod_original_formula_sum 'Zn2 O4 Si' _cod_database_code 1544332 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' '-x+1/2, -y, z+1/2' 'x+1/2, y, -z+1/2' '-x, y+1/2, -z+1/2' 'x, -y+1/2, z+1/2' 'x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_B_iso_or_equiv _atom_site_type_symbol Zn1 1.0 0.56470(10) 0.58170(11) 0.34700(10) Biso 0.760000 Zn Zn2 1.0 0.66070(10) 0.31510(10) 0.06020(10) Biso 0.730000 Zn Si 1.0 0.3777(2) 0.1204(2) 0.6368(4) Biso 0.320000 Si O1 1.0 0.2474(4) 0.2153(4) 0.6677(8) Biso 0.430000 O O2 1.0 0.3985(4) 0.0248(4) 0.8473(8) Biso 0.430000 O O3 1.0 0.4897(4) 0.2268(5) 0.5966(7) Biso 0.430000 O O4 1.0 0.3687(4) 0.0192(5) 0.4306(7) Biso 0.430000 O