data_global _amcsd_formula_title 'BaMo6S8' loop_ _publ_author_name 'Kubel F' 'Yvon K' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 181 _journal_page_last 186 _publ_section_title ; Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 173 K ; _database_code_amcsd 0010097 _chemical_formula_sum 'Ba Mo6 S8' _cell_length_a 6.5896 _cell_length_b 6.6500 _cell_length_c 6.6899 _cell_angle_alpha 88.731 _cell_angle_beta 88.818 _cell_angle_gamma 88.059 _cell_volume 292.859 _exptl_crystal_density_diffrn 5.497 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba 0.00000 0.00000 0.00000 Mo1 0.23750 0.56443 0.41916 Mo2 0.41765 0.23305 0.56528 Mo3 0.56678 0.41669 0.23264 S1 0.12400 0.39240 0.73690 S2 0.25560 0.24690 0.25240 S3 0.39150 0.73590 0.12470 S4 0.73760 0.12240 0.38780