data_global _amcsd_formula_title 'Ba S3 V' loop_ _publ_author_name 'Ghedira M' 'Anne M' 'Chenavas J' 'Marezio M' 'Sayetat F' _journal_name_full 'Journal of Physics C: Solid State Physics' _journal_volume 19 _journal_year 1986 _journal_page_first 6489 _journal_page_last 6503 _publ_section_title ; Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S3 _cod_database_code 1008377 ; _database_code_amcsd 0016287 _chemical_formula_sum 'S3 V Ba' _cell_length_a 6.7192 _cell_length_b 6.7192 _cell_length_c 5.6188 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 219.690 _exptl_crystal_density_diffrn 4.300 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z S1 0.16550 0.33100 0.25000 V1 0.00000 0.00000 0.00000 Ba1 0.33333 0.66667 0.25000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 0.01920 0.01390 0.02510 0.00800 0.00000 0.00000 V1 0.05650 0.05650 0.00670 0.02830 0.00000 0.00000 Ba1 0.02230 0.02230 0.02720 0.01110 0.00000 0.00000