#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/35/8103527.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_8103527 loop_ _publ_author_name 'Araki, T.' _publ_section_title ; Crystal structure of a cesium alumosilicate, Cs (Al Si5 O12) ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 207 _journal_page_last 213 _journal_volume 152 _journal_year 1980 _chemical_formula_sum 'Al Cs0.814 O12 Si5' _chemical_name_systematic 'Cs0.814 (Al Si5 O12)' _space_group_IT_number 40 _symmetry_space_group_name_Hall 'A 2 -2a' _symmetry_space_group_name_H-M 'A m a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.776 _cell_length_b 13.828 _cell_length_c 5.021 _cell_volume 1164.764 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Araki_ZEKRDZ_1980_208.cif _cod_data_source_block Al1Cs0.814O12Si5 _cod_original_formula_sum 'Al1 Cs0.814 O12 Si5' _cod_database_code 8103527 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/2,y,z x+1/2,-y,z x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-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 Al2 Al+3 0.15709 0.42622 -0.41971 0.167 0.0 Si2 Si+4 0.15709 0.42622 -0.41971 0.833 0.0 Si1 Si+4 0.05281 0.74134 -0.04651 0.833 0.0 O6 O-2 0.11123 0.45939 -0.1534 1 0.0 O4 O-2 0.09931 0.14024 -0.481 1 0.0 O3 O-2 0.12235 0.32339 -0.5194 1 0.0 O2 O-2 0.25 0.41029 -0.3547 1 0.0 Si3 Si+4 0.08952 0.02677 -0.40524 0.833 0.0 Al3 Al+3 0.08952 0.02677 -0.40524 0.167 0.0 Cs1 Cs+1 0.25 0.20406 0 0.814 0.0 O5 O-2 0.02323 0.73969 -0.3555 1 0.0 O7 O-2 0.14838 0.00661 -0.15333 1 0.0 O1 O-2 0 0 -0.3164 1 0.0 Al1 Al+3 0.05281 0.74134 -0.04651 0.167 0.0