The material described by InVO4 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_VInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   6.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.961
_symmetry_Int_Tables_number   1
_cell_volume   163.532
_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
  V  V0  1  0.640  0.360  0.250  1.0
  V  V1  1  0.360  0.640  0.750  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.248  0.752  0.544  1.0
  O  O5  1  0.752  0.248  0.044  1.0
  O  O6  1  0.752  0.248  0.456  1.0
  O  O7  1  0.248  0.752  0.956  1.0
  O  O8  1  0.733  0.781  0.750  1.0
  O  O9  1  0.267  0.219  0.250  1.0
  O  O10  1  0.781  0.733  0.250  1.0
  O  O11  1  0.219  0.267  0.750  1.0
[/CIF]
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The material described by InVO4 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent In(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_VInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   6.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.961
_symmetry_Int_Tables_number   1
_cell_volume   163.532
_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
  V  V0  1  0.640  0.360  0.250  1.0
  V  V1  1  0.360  0.640  0.750  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.248  0.752  0.544  1.0
  O  O5  1  0.752  0.248  0.044  1.0
  O  O6  1  0.752  0.248  0.456  1.0
  O  O7  1  0.248  0.752  0.956  1.0
  O  O8  1  0.733  0.781  0.750  1.0
  O  O9  1  0.267  0.219  0.250  1.0
  O  O10  1  0.781  0.733  0.250  1.0
  O  O11  1  0.219  0.267  0.750  1.0
[/CIF]
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