data_1001021 _chemical_name_systematic 'Thallium tungsten oxide (0.3/1/3)' _chemical_formula_structural 'TL0.30 W O3' _chemical_formula_sum 'O3 Tl.3 W' _publ_section_title ; Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In ; loop_ _publ_author_name 'Labbe, P H' 'Goreaud, M' 'Raveau, B' 'Monier, J C' _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_coden_ASTM ACBCAR _journal_volume 34 _journal_year 1978 _journal_page_first 1433 _journal_page_last 1438 _cell_length_a 7.3810(18) _cell_length_b 7.3810(18) _cell_length_c 7.5091(11) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 354.3 _cell_formula_units_Z 6 _symmetry_space_group_name_H-M 'P 63/m c m' _symmetry_Int_Tables_number 193 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' 'y,x,z' 'x-y,-y,z' '-x,y-x,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' '-y,-x,-z' 'y-x,y,-z' 'x,x-y,-z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' '-y,-x,1/2+z' 'y-x,y,1/2+z' 'x,x-y,1/2+z' 'x,y,1/2-z' '-y,x-y,1/2-z' 'y-x,-x,1/2-z' 'y,x,1/2-z' 'x-y,-y,1/2-z' '-x,y-x,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number W6+ 5.700 O2- -2.000 Tl1+ 1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag W1 W6+ 6 g 0. 0.47744(11) 0.25 1. 0 d O1 O2- 12 j 0.2118(27) 0.4200(22) 0.25 1. 0 d O2 O2- 12 k 0. 0.4635(29) -0.0020(34) 0.5 0 d Tl1 Tl1+ 4 e 0. 0. 0.0307(20) 0.45(1) 0 d _refine_ls_R_factor_all 0.043