data_1001079
_chemical_name_systematic          'Tin tungsten oxide (10/16/46)'
_chemical_formula_structural       'Sn10 W16 O46'
_chemical_formula_sum              'O46 Sn10 W16'
_publ_section_title
;
A mixed-valence tungsten oxide of divalent tin: Sn~10~ W~16~ O~46~
;
loop_
_publ_author_name
  'Goreaud, M'
  'Labbe, P H'
  'Raveau, B'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    36
_journal_year                      1980
_journal_page_first                15
_journal_page_last                 19
_cell_length_a                     7.667(4)
_cell_length_b                     7.667(4)
_cell_length_c                     18.640(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       948.9
_cell_formula_units_Z              1
_exptl_crystal_density_meas        8.62(9)
_symmetry_space_group_name_H-M     'P 63/m'
_symmetry_Int_Tables_number        176
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn2+   2.000
  W4+    4.000
  W6+    6.000
  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
  Sn1   Sn2+   6 h 0.1928(6) 0.3124(6) 0.25 1.  0 d
  Sn2   Sn2+   4 f 0.3333 0.6667 0.0705(2) 1.  0 d
  W1    W4+   12 i 0.22453(20) 0.05645(20) 0.05991(7) 1.  0 d
  W2    W6+    4 f 0.3333 0.6667 0.67023(12) 1.  0 d
  O1    O2-    6 h 0.459(9) 0.301(9) 0.25 1.  0 d
  O2    O2-   12 i 0.462(6) 0.131(6) 0.1195(21) 1.  0 d
  O3    O2-   12 i 0.129(4) 0.412(4) 0.0060(14) 1.  0 d
  O4    O2-    2 b 0. 0. 0. 1.  0 d
  O5    O2-   12 i 0.186(4) 0.245(4) 0.1243(12) 1.  0 d
  O6    O2-    2 a 0. 0. 0.25 1.  0 d
_refine_ls_R_factor_all            0.06