The compound described by KV4O8 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   7.383
_cell_length_c   7.383
_cell_angle_alpha   87.757
_cell_angle_beta   78.591
_cell_angle_gamma   78.591
_symmetry_Int_Tables_number   1
_cell_volume   152.969
_cell_formula_units_Z   1
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
  K  K0  1  0.500  0.000  1.000  1.0
  V  V1  1  0.832  0.519  0.817  1.0
  V  V2  1  0.168  0.481  0.183  1.0
  V  V3  1  0.351  0.817  0.481  1.0
  V  V4  1  0.649  0.183  0.519  1.0
  O  O5  1  0.845  0.954  0.355  1.0
  O  O6  1  0.200  0.645  0.954  1.0
  O  O7  1  0.800  0.355  0.046  1.0
  O  O8  1  0.155  0.046  0.645  1.0
  O  O9  1  0.460  0.375  0.705  1.0
  O  O10  1  0.540  0.625  0.295  1.0
  O  O11  1  0.165  0.295  0.375  1.0
  O  O12  1  0.835  0.705  0.625  1.0
[/CIF]
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The compound described by KV4O8 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   7.383
_cell_length_c   7.383
_cell_angle_alpha   87.757
_cell_angle_beta   78.591
_cell_angle_gamma   78.591
_symmetry_Int_Tables_number   1
_cell_volume   152.969
_cell_formula_units_Z   1
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
  K  K0  1  0.500  0.000  1.000  1.0
  V  V1  1  0.832  0.519  0.817  1.0
  V  V2  1  0.168  0.481  0.183  1.0
  V  V3  1  0.351  0.817  0.481  1.0
  V  V4  1  0.649  0.183  0.519  1.0
  O  O5  1  0.845  0.954  0.355  1.0
  O  O6  1  0.200  0.645  0.954  1.0
  O  O7  1  0.800  0.355  0.046  1.0
  O  O8  1  0.155  0.046  0.645  1.0
  O  O9  1  0.460  0.375  0.705  1.0
  O  O10  1  0.540  0.625  0.295  1.0
  O  O11  1  0.165  0.295  0.375  1.0
  O  O12  1  0.835  0.705  0.625  1.0
[/CIF]
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