#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001180.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001180
_chemical_name_systematic          'Hexaindium tungsten oxide'
_chemical_formula_structural       'In6 W O12'
_chemical_formula_sum              'In6 O12 W'
_publ_section_title
;
The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the
Fluorite Structure
;
loop_
_publ_author_name
  'Michel, D'
  'Kahn, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                1437
_journal_page_last                 1441
_cell_length_a                     6.2277(9)
_cell_length_b                     6.2277(9)
_cell_length_c                     6.2277(9)
_cell_angle_alpha                  99.01(1)
_cell_angle_beta                   99.01(1)
_cell_angle_gamma                  99.01(1)
_cell_volume                       231.5
_cell_formula_units_Z              1
_exptl_crystal_density_meas        7.5(30)
_symmetry_space_group_name_H-M     'R -3 R'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
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_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  In3+   3.000
  O2-   -2.000
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+    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_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)
_refine_ls_R_factor_all            0.032