The structure described by CsNbWO6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form CsO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-73°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-73°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Nb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_CsNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.473
_cell_length_b   7.473
_cell_length_c   7.473
_cell_angle_alpha   120.368
_cell_angle_beta   119.783
_cell_angle_gamma   89.870
_symmetry_Int_Tables_number   1
_cell_volume   294.799
_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
  Cs  Cs0  1  0.624  0.874  0.750  1.0
  Cs  Cs1  1  0.376  0.126  0.250  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.500  1.0
  W  W4  1  0.000  0.500  0.000  1.0
  W  W5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.060  0.810  0.250  1.0
  O  O7  1  0.688  0.438  0.250  1.0
  O  O8  1  0.060  0.817  0.621  1.0
  O  O9  1  0.696  0.438  0.879  1.0
  O  O10  1  0.696  0.817  0.257  1.0
  O  O11  1  0.060  0.438  0.243  1.0
  O  O12  1  0.940  0.190  0.750  1.0
  O  O13  1  0.312  0.562  0.750  1.0
  O  O14  1  0.940  0.183  0.379  1.0
  O  O15  1  0.304  0.562  0.121  1.0
  O  O16  1  0.304  0.183  0.743  1.0
  O  O17  1  0.940  0.562  0.757  1.0
[/CIF]
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The structure described by CsNbWO6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form CsO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-73°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-73°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Nb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_CsNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.473
_cell_length_b   7.473
_cell_length_c   7.473
_cell_angle_alpha   120.368
_cell_angle_beta   119.783
_cell_angle_gamma   89.870
_symmetry_Int_Tables_number   1
_cell_volume   294.799
_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
  Cs  Cs0  1  0.624  0.874  0.750  1.0
  Cs  Cs1  1  0.376  0.126  0.250  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.500  1.0
  W  W4  1  0.000  0.500  0.000  1.0
  W  W5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.060  0.810  0.250  1.0
  O  O7  1  0.688  0.438  0.250  1.0
  O  O8  1  0.060  0.817  0.621  1.0
  O  O9  1  0.696  0.438  0.879  1.0
  O  O10  1  0.696  0.817  0.257  1.0
  O  O11  1  0.060  0.438  0.243  1.0
  O  O12  1  0.940  0.190  0.750  1.0
  O  O13  1  0.312  0.562  0.750  1.0
  O  O14  1  0.940  0.183  0.379  1.0
  O  O15  1  0.304  0.562  0.121  1.0
  O  O16  1  0.304  0.183  0.743  1.0
  O  O17  1  0.940  0.562  0.757  1.0
[/CIF]
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