The material described by (NbWO6)2O2 crystallizes in the orthorhombic Ima2 space group. The structure consists of four water atoms inside a NbWO6 framework. In the NbWO6 framework, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_NbWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.477
_cell_length_b   7.477
_cell_length_c   7.477
_cell_angle_alpha   120.532
_cell_angle_beta   119.588
_cell_angle_gamma   89.899
_symmetry_Int_Tables_number   1
_cell_volume   295.336
_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
  Nb  Nb0  1  0.000  0.499  0.499  1.0
  Nb  Nb1  1  0.500  0.499  0.999  1.0
  W  W2  1  0.500  0.499  0.499  1.0
  W  W3  1  0.500  0.999  0.999  1.0
  O  O4  1  0.557  0.808  0.751  1.0
  O  O5  1  0.190  0.440  0.750  1.0
  O  O6  1  0.557  0.816  0.118  1.0
  O  O7  1  0.198  0.441  0.384  1.0
  O  O8  1  0.198  0.816  0.759  1.0
  O  O9  1  0.557  0.441  0.743  1.0
  O  O10  1  0.443  0.194  0.251  1.0
  O  O11  1  0.810  0.561  0.250  1.0
  O  O12  1  0.443  0.186  0.884  1.0
  O  O13  1  0.802  0.561  0.618  1.0
  O  O14  1  0.802  0.186  0.243  1.0
  O  O15  1  0.443  0.561  0.259  1.0
  O  O16  1  0.151  0.847  0.195  1.0
  O  O17  1  0.849  0.044  0.695  1.0
[/CIF]
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The material described by (NbWO6)2O2 crystallizes in the orthorhombic Ima2 space group. The structure consists of four water atoms inside a NbWO6 framework. In the NbWO6 framework, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_NbWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.477
_cell_length_b   7.477
_cell_length_c   7.477
_cell_angle_alpha   120.532
_cell_angle_beta   119.588
_cell_angle_gamma   89.899
_symmetry_Int_Tables_number   1
_cell_volume   295.336
_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
  Nb  Nb0  1  0.000  0.499  0.499  1.0
  Nb  Nb1  1  0.500  0.499  0.999  1.0
  W  W2  1  0.500  0.499  0.499  1.0
  W  W3  1  0.500  0.999  0.999  1.0
  O  O4  1  0.557  0.808  0.751  1.0
  O  O5  1  0.190  0.440  0.750  1.0
  O  O6  1  0.557  0.816  0.118  1.0
  O  O7  1  0.198  0.441  0.384  1.0
  O  O8  1  0.198  0.816  0.759  1.0
  O  O9  1  0.557  0.441  0.743  1.0
  O  O10  1  0.443  0.194  0.251  1.0
  O  O11  1  0.810  0.561  0.250  1.0
  O  O12  1  0.443  0.186  0.884  1.0
  O  O13  1  0.802  0.561  0.618  1.0
  O  O14  1  0.802  0.186  0.243  1.0
  O  O15  1  0.443  0.561  0.259  1.0
  O  O16  1  0.151  0.847  0.195  1.0
  O  O17  1  0.849  0.044  0.695  1.0
[/CIF]
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