data_1008912
_chemical_name_systematic          'Tungsten divanadate(III)'
_chemical_formula_structural       'W (V2 O6)'
_chemical_formula_sum              'O6 V2 W'
_publ_section_title
;
Structure cristalline de W2 O6 sur monocristal a 298 et 383K
;
loop_
_publ_author_name
  'Hodeau, J L'
  'Gondrand, M'
  'Labeau, M'
  'Joubert, 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                3543
_journal_page_last                 3547
_cell_length_a                     4.6213(5)
_cell_length_b                     4.6213(5)
_cell_length_c                     8.8864(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       189.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'y,x,z'
  '-y,-x,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  V3+    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+    2 a 0. 0. 0. 1.  0 d
  V1    V3+    4 e 0. 0. 0.33472(3) 1.  0 d
  O1    O2-    4 f 0.2943(8) 0.2943(8) 0. 1.  0 d
  O2    O2-    8 j 0.3018(6) 0.3018(6) 0.3385(2) 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    0.0050(2) 0.0015(6) 0. 0.0050(2) 0. 0.0044(1)
  V1    0.0033(3) -0.0006(11) 0. 0.0033(3) 0. 0.0022(2)
  O1    0.0052(7) -0.0020(6) 0. 0.0052(7) 0. 0.0036(5)
  O2    0.0046(5) -0.0027(5) -0.0002(4) 0.0046(5) -0.0002(4) 0.0051(4)
_refine_ls_R_factor_all            0.022