data_1001180
_publ_section_title
;
The Structure of Indium Tungstate In₆ W O₁₂: Its Relation with the
Fluorite Structure
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1437
_journal_page_last               1441
_journal_paper_doi               10.1107/S0567740882006104
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     'In6 W O12'
_chemical_formula_sum            'In6 O12 W'
_chemical_name_systematic        'Hexaindium tungsten oxide'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                99.01(1)
_cell_angle_beta                 99.01(1)
_cell_angle_gamma                99.01(1)
_cell_formula_units_Z            1
_cell_length_a                   6.2277(9)
_cell_length_b                   6.2277(9)
_cell_length_c                   6.2277(9)
_cell_volume                     231.5
_exptl_crystal_density_meas      7.5(30)
_refine_ls_R_factor_all          0.032
_[local]_cod_cif_authors_sg_H-M  'R -3 R'
_cod_database_code               1001180
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
-x,-y,-z
-y,-z,-x
-z,-x,-y
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
W1 0.0034(2) 0.0008(2) 0.0008(2) 0.0034(2) 0.0008(2) 0.0034(2)
In1 0.0043(3) 0.0024(2) 0.0008(2) 0.0071(3) 0.0002(2) 0.0056(3)
O1 0.0129(28) 0.0007(15) 0.0007(15) 0.0104(27) 0.0007(15) 0.0015(20)
O2 0.0079(25) 0.0009(10) 0.0009(10) 0.0044(23) 0.0004(5) 0.0034(22)
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+ 1 a 0. 0. 0. 1. 0 d
In1 In3+ 6 f 0.1397(1) 0.3214(1) 0.6044(1) 1. 0 d
O1 O2- 6 f -0.0426(15) 0.0974(13) 0.2969(12) 1. 0 d
O2 O2- 6 f 0.4057(12) 0.5838(12) 0.8219(12) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6.000
In3+ 3.000
O2- -2.000
