The material described by CsVWO6 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 distorted CsO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-73°. V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(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 35-73°. 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 V(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-73°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one W(1) atom. is represented by the CIF file [CIF]
data_CsVWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.248
_cell_length_b   7.248
_cell_length_c   7.248
_cell_angle_alpha   121.134
_cell_angle_beta   118.936
_cell_angle_gamma   89.950
_symmetry_Int_Tables_number   1
_cell_volume   268.990
_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  0.373  0.623  0.750  1.0
  Cs  Cs1  1  0.627  0.377  0.250  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.316  0.066  0.250  1.0
  O  O7  1  0.946  0.696  0.250  1.0
  O  O8  1  0.307  0.686  0.243  1.0
  O  O9  1  0.943  0.064  0.257  1.0
  O  O10  1  0.307  0.064  0.621  1.0
  O  O11  1  0.943  0.686  0.879  1.0
  O  O12  1  0.684  0.934  0.750  1.0
  O  O13  1  0.054  0.304  0.750  1.0
  O  O14  1  0.693  0.314  0.757  1.0
  O  O15  1  0.057  0.936  0.743  1.0
  O  O16  1  0.693  0.936  0.379  1.0
  O  O17  1  0.057  0.314  0.121  1.0
[/CIF]
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The material described by CsVWO6 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 distorted CsO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-73°. V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(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 35-73°. 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 V(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-73°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one W(1) atom. is represented by the CIF file [CIF]
data_CsVWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.248
_cell_length_b   7.248
_cell_length_c   7.248
_cell_angle_alpha   121.134
_cell_angle_beta   118.936
_cell_angle_gamma   89.950
_symmetry_Int_Tables_number   1
_cell_volume   268.990
_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  0.373  0.623  0.750  1.0
  Cs  Cs1  1  0.627  0.377  0.250  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.316  0.066  0.250  1.0
  O  O7  1  0.946  0.696  0.250  1.0
  O  O8  1  0.307  0.686  0.243  1.0
  O  O9  1  0.943  0.064  0.257  1.0
  O  O10  1  0.307  0.064  0.621  1.0
  O  O11  1  0.943  0.686  0.879  1.0
  O  O12  1  0.684  0.934  0.750  1.0
  O  O13  1  0.054  0.304  0.750  1.0
  O  O14  1  0.693  0.314  0.757  1.0
  O  O15  1  0.057  0.936  0.743  1.0
  O  O16  1  0.693  0.936  0.379  1.0
  O  O17  1  0.057  0.314  0.121  1.0
[/CIF]
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