#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106082.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106082 loop_ _publ_author_name 'Bukovec, N.' 'Kaucic, V.' 'Golic, L.' _publ_section_title ; Cesium lanthanum bis(sulphate) ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 129 _journal_page_last 130 _journal_volume 36 _journal_year 1980 _chemical_formula_sum 'Cs La O8 S2' _chemical_name_systematic 'Cs La (S O4)2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 91.46 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.929 _cell_length_b 5.483 _cell_length_c 17.153 _cell_volume 745.480 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Bukovec_ACBCAR_1980_752.cif _cod_data_source_block Cs1La1O8S2 _cod_original_cell_volume 745.4795 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_original_formula_sum 'Cs1 La1 O8 S2' _cod_database_code 2106082 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z 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 O2 O-2 0.7451 0.4904 0.0489 1 0.0 O1 O-2 0.7987 0.0578 0.0367 1 0.0 Cs1 Cs+1 0.13626 0.26477 0.11585 1 0.0 O3 O-2 0.5224 0.1945 0.0619 1 0.0 O4 O-2 0.6423 0.2733 -0.0646 1 0.0 O6 O-2 0.4723 0.4882 0.2126 1 0.0 O7 O-2 0.7167 0.2204 0.2178 1 0.0 La1 La+3 0.63082 0.80807 0.13587 1 0.0 S2 S+6 0.54181 0.26275 0.24638 1 0.0 S1 S+6 0.67732 0.25556 0.01977 1 0.0 O8 O-2 0.5543 0.2826 0.3316 1 0.0 O5 O-2 0.4376 0.051 0.2227 1 0.0