The structure described by (TaWO6)2O2 crystallizes in the orthorhombic Imma space group. The structure consists of four water atoms inside a TaWO6 framework. In the TaWO6 framework, Ta(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   7.425
_cell_length_c   7.425
_cell_angle_alpha   120.076
_cell_angle_beta   119.731
_cell_angle_gamma   90.168
_symmetry_Int_Tables_number   1
_cell_volume   289.871
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  W  W2  1  0.500  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.189  0.939  0.250  1.0
  O  O5  1  0.557  0.307  0.250  1.0
  O  O6  1  0.196  0.939  0.882  1.0
  O  O7  1  0.557  0.314  0.618  1.0
  O  O8  1  0.557  0.939  0.243  1.0
  O  O9  1  0.196  0.314  0.257  1.0
  O  O10  1  0.811  0.061  0.750  1.0
  O  O11  1  0.443  0.693  0.750  1.0
  O  O12  1  0.804  0.061  0.118  1.0
  O  O13  1  0.443  0.686  0.382  1.0
  O  O14  1  0.443  0.061  0.757  1.0
  O  O15  1  0.804  0.686  0.743  1.0
  O  O16  1  0.876  0.626  0.250  1.0
  O  O17  1  0.124  0.374  0.750  1.0
[/CIF]
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The structure described by (TaWO6)2O2 crystallizes in the orthorhombic Imma space group. The structure consists of four water atoms inside a TaWO6 framework. In the TaWO6 framework, Ta(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ta(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   7.425
_cell_length_c   7.425
_cell_angle_alpha   120.076
_cell_angle_beta   119.731
_cell_angle_gamma   90.168
_symmetry_Int_Tables_number   1
_cell_volume   289.871
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  W  W2  1  0.500  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.189  0.939  0.250  1.0
  O  O5  1  0.557  0.307  0.250  1.0
  O  O6  1  0.196  0.939  0.882  1.0
  O  O7  1  0.557  0.314  0.618  1.0
  O  O8  1  0.557  0.939  0.243  1.0
  O  O9  1  0.196  0.314  0.257  1.0
  O  O10  1  0.811  0.061  0.750  1.0
  O  O11  1  0.443  0.693  0.750  1.0
  O  O12  1  0.804  0.061  0.118  1.0
  O  O13  1  0.443  0.686  0.382  1.0
  O  O14  1  0.443  0.061  0.757  1.0
  O  O15  1  0.804  0.686  0.743  1.0
  O  O16  1  0.876  0.626  0.250  1.0
  O  O17  1  0.124  0.374  0.750  1.0
[/CIF]
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