#------------------------------------------------------------------------------ #$Date: 2025-10-08 18:22:48 +0100 (Wed, 08 Oct 2025) $ #$Revision: 302839 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/07/2000736.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_2000736 loop_ _publ_author_name 'Le Lay, L.' 'Powell, D. R.' 'Willis, T. C.' _publ_section_title ; Structure of Sn~0.854~Mo~6~S~8~ ; _journal_coden_ASTM ACSCEE _journal_issue 7 _journal_name_full ; Acta Crystallographica, Section C: Crystal Structure Communications ; _journal_page_first 1179 _journal_page_last 1182 _journal_paper_doi 10.1107/S0108270191014609 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'Mo6 S8 Sn0.854' _chemical_formula_weight 933.5 _space_group_crystal_system trigonal _space_group_IT_number 148 _space_group_name_Hall '-P 3*' _space_group_name_H-M_alt 'R -3 :R' _cell_angle_alpha 89.47(2) _cell_angle_beta 89.47(2) _cell_angle_gamma 89.47(2) _cell_formula_units_Z 1 _cell_length_a 6.5100(10) _cell_length_b 6.5100(10) _cell_length_c 6.5100(10) _cell_volume 275.86(7) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 9.777 _exptl_crystal_density_diffrn 5.619 _exptl_crystal_F_000 422.70 _cod_data_source_file cr0368.cif _cod_data_source_block cr0368a _cod_database_code 2000736 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 z,x,y 3 y,z,x 4 -x,-y,-z 5 -z,-x,-y 6 -y,-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy Sn(1) .0 .0 .0 .0318(4) 0.854(2) Mo(1) .22508(8) .41614(7) .56111(8) .0067(2) 1 S(1) .3791(2) .1262(2) .7443(2) .0095(4) 1 S(2) .2408(2) .2408(2) .2408(2) .0107(3) 1 loop_ _cod_changelog_entry_id _cod_changelog_entry_author _cod_changelog_entry_date _cod_changelog_entry_text 1 'Gra\