The compound described by CsVTeO6 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 Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. 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 Te(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. Te(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(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 42-71°. 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 Te(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 2-coordinate geometry to one Cs(1), one V(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_CsVTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.198
_cell_length_b   7.198
_cell_length_c   7.198
_cell_angle_alpha   120.734
_cell_angle_beta   119.305
_cell_angle_gamma   89.970
_symmetry_Int_Tables_number   1
_cell_volume   263.618
_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  0.870  0.620  0.250  1.0
  Cs  Cs1  1  0.130  0.380  0.750  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.500  0.000  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.828  0.078  0.750  1.0
  O  O7  1  0.449  0.699  0.750  1.0
  O  O8  1  0.815  0.680  0.742  1.0
  O  O9  1  0.438  0.073  0.758  1.0
  O  O10  1  0.815  0.073  0.135  1.0
  O  O11  1  0.438  0.680  0.365  1.0
  O  O12  1  0.172  0.922  0.250  1.0
  O  O13  1  0.551  0.301  0.250  1.0
  O  O14  1  0.185  0.320  0.258  1.0
  O  O15  1  0.562  0.927  0.242  1.0
  O  O16  1  0.185  0.927  0.865  1.0
  O  O17  1  0.562  0.320  0.635  1.0
[/CIF]
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The compound described by CsVTeO6 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 Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. 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 Te(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. Te(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Te(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 42-71°. 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 Te(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 2-coordinate geometry to one Cs(1), one V(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_CsVTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.198
_cell_length_b   7.198
_cell_length_c   7.198
_cell_angle_alpha   120.734
_cell_angle_beta   119.305
_cell_angle_gamma   89.970
_symmetry_Int_Tables_number   1
_cell_volume   263.618
_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  0.870  0.620  0.250  1.0
  Cs  Cs1  1  0.130  0.380  0.750  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.500  0.000  0.500  1.0
  Te  Te5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.828  0.078  0.750  1.0
  O  O7  1  0.449  0.699  0.750  1.0
  O  O8  1  0.815  0.680  0.742  1.0
  O  O9  1  0.438  0.073  0.758  1.0
  O  O10  1  0.815  0.073  0.135  1.0
  O  O11  1  0.438  0.680  0.365  1.0
  O  O12  1  0.172  0.922  0.250  1.0
  O  O13  1  0.551  0.301  0.250  1.0
  O  O14  1  0.185  0.320  0.258  1.0
  O  O15  1  0.562  0.927  0.242  1.0
  O  O16  1  0.185  0.927  0.865  1.0
  O  O17  1  0.562  0.320  0.635  1.0
[/CIF]
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