The compound described by InVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent In(2)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-64°. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one V(2), one In(2), and two equivalent In(1) atoms to form distorted edge-sharing OVIn3 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one In(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one In(1), and one In(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one In(1) atom. is represented by the CIF card [CIF]
data_VInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   6.998
_cell_length_c   7.078
_cell_angle_alpha   79.071
_cell_angle_beta   79.071
_cell_angle_gamma   84.885
_symmetry_Int_Tables_number   1
_cell_volume   333.641
_cell_formula_units_Z   4
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  0.748  0.252  0.000  1.0
  V  V1  1  0.252  0.748  0.000  1.0
  V  V2  1  0.727  0.727  0.406  1.0
  V  V3  1  0.273  0.273  0.594  1.0
  In  In4  1  0.813  0.187  0.500  1.0
  In  In5  1  0.187  0.813  0.500  1.0
  In  In6  1  0.211  0.211  0.131  1.0
  In  In7  1  0.789  0.789  0.869  1.0
  O  O8  1  0.859  0.859  0.539  1.0
  O  O9  1  0.141  0.141  0.461  1.0
  O  O10  1  0.206  0.206  0.838  1.0
  O  O11  1  0.794  0.794  0.162  1.0
  O  O12  1  0.217  0.517  0.108  1.0
  O  O13  1  0.483  0.783  0.892  1.0
  O  O14  1  0.783  0.483  0.892  1.0
  O  O15  1  0.517  0.217  0.108  1.0
  O  O16  1  0.797  0.107  0.813  1.0
  O  O17  1  0.893  0.203  0.187  1.0
  O  O18  1  0.203  0.893  0.187  1.0
  O  O19  1  0.107  0.797  0.813  1.0
  O  O20  1  0.509  0.210  0.525  1.0
  O  O21  1  0.790  0.491  0.475  1.0
  O  O22  1  0.491  0.790  0.475  1.0
  O  O23  1  0.210  0.509  0.525  1.0
[/CIF]
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The compound described by InVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent In(2)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-64°. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one V(2), one In(2), and two equivalent In(1) atoms to form distorted edge-sharing OVIn3 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one In(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one In(1), and one In(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one In(1) atom. is represented by the CIF card [CIF]
data_VInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   6.998
_cell_length_c   7.078
_cell_angle_alpha   79.071
_cell_angle_beta   79.071
_cell_angle_gamma   84.885
_symmetry_Int_Tables_number   1
_cell_volume   333.641
_cell_formula_units_Z   4
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  0.748  0.252  0.000  1.0
  V  V1  1  0.252  0.748  0.000  1.0
  V  V2  1  0.727  0.727  0.406  1.0
  V  V3  1  0.273  0.273  0.594  1.0
  In  In4  1  0.813  0.187  0.500  1.0
  In  In5  1  0.187  0.813  0.500  1.0
  In  In6  1  0.211  0.211  0.131  1.0
  In  In7  1  0.789  0.789  0.869  1.0
  O  O8  1  0.859  0.859  0.539  1.0
  O  O9  1  0.141  0.141  0.461  1.0
  O  O10  1  0.206  0.206  0.838  1.0
  O  O11  1  0.794  0.794  0.162  1.0
  O  O12  1  0.217  0.517  0.108  1.0
  O  O13  1  0.483  0.783  0.892  1.0
  O  O14  1  0.783  0.483  0.892  1.0
  O  O15  1  0.517  0.217  0.108  1.0
  O  O16  1  0.797  0.107  0.813  1.0
  O  O17  1  0.893  0.203  0.187  1.0
  O  O18  1  0.203  0.893  0.187  1.0
  O  O19  1  0.107  0.797  0.813  1.0
  O  O20  1  0.509  0.210  0.525  1.0
  O  O21  1  0.790  0.491  0.475  1.0
  O  O22  1  0.491  0.790  0.475  1.0
  O  O23  1  0.210  0.509  0.525  1.0
[/CIF]
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