#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/56/1535662.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_1535662 loop_ _publ_author_name 'Troyanov, S.I.' 'Morozov, I.V.' 'Korenev, Yu.M.' _publ_section_title ; Refinement of the crystal structure and the study of thermal stability of CuSiF6(H2O)4. ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 380 _journal_page_last 387 _journal_volume 37 _journal_year 1992 _chemical_formula_sum 'Cu F6 H8 O4 Si' _chemical_name_systematic 'Cu (Si F6) (H2 O)4' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2bc' _symmetry_space_group_name_H-M 'P 1 1 21/b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 105.23 _cell_formula_units_Z 2 _cell_length_a 5.346 _cell_length_b 7.221 _cell_length_c 9.618 _cell_volume 358.248 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Troyanov_ZNOKAQ_1992_1250.cif _cod_data_source_block H8Cu1F6O4Si1 _cod_original_cell_volume 358.2482 _cod_original_sg_symbol_Hall '-P 2ybc (-x,z,y)' _cod_original_formula_sum 'H8 Cu1 F6 O4 Si1' _cod_database_code 1535662 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 H1 H+1 0.236 -0.048 0.214 1 0.0 O2 O-2 -0.2398 0.0804 0.1251 1 0.0 O1 O-2 0.1239 -0.1214 0.1585 1 0.0 F3 F-1 0.2989 0.2918 0.0486 1 0.0 F1 F-1 0.7304 0.455 0.1051 1 0.0 H4 H+1 -0.173 0.208 0.117 1 0.0 Si1 Si+4 0.5 0 0.5 1 0.0 H3 H+1 -0.272 0.042 0.183 1 0.0 F2 F-1 0.392 0.6114 0.1334 1 0.0 Cu1 Cu+2 0 0 0 1 0.0 H2 H+1 -0.222 0.244 -0.17 1 0.0