The compound described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one Re(1), and one Re(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(2) atom. is represented by the CIF file [CIF]
data_VReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   7.308
_cell_length_c   6.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.674
_symmetry_Int_Tables_number   1
_cell_volume   250.358
_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  0.241  0.983  0.500  1.0
  V  V1  1  0.509  0.517  0.000  1.0
  V  V2  1  0.755  0.012  0.500  1.0
  V  V3  1  0.995  0.488  0.000  1.0
  Re  Re4  1  0.474  0.002  1.000  1.0
  Re  Re5  1  0.721  0.499  0.500  1.0
  Re  Re6  1  0.029  0.001  1.000  1.0
  Re  Re7  1  0.276  0.498  0.500  1.0
  O  O8  1  0.386  0.273  0.500  1.0
  O  O9  1  0.654  0.810  1.000  1.0
  O  O10  1  0.905  0.308  0.500  1.0
  O  O11  1  0.138  0.773  1.000  1.0
  O  O12  1  0.096  0.690  0.500  1.0
  O  O13  1  0.364  0.227  0.000  1.0
  O  O14  1  0.612  0.727  0.500  1.0
  O  O15  1  0.845  0.192  0.000  1.0
  O  O16  1  0.490  0.999  0.295  1.0
  O  O17  1  0.744  0.502  0.798  1.0
  O  O18  1  0.006  0.998  0.298  1.0
  O  O19  1  0.260  0.501  0.795  1.0
  O  O20  1  0.490  0.999  0.705  1.0
  O  O21  1  0.744  0.502  0.202  1.0
  O  O22  1  0.006  0.998  0.702  1.0
  O  O23  1  0.260  0.501  0.205  1.0
[/CIF]
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The compound described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one Re(1), and one Re(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(2) atom. is represented by the CIF file [CIF]
data_VReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   7.308
_cell_length_c   6.584
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.674
_symmetry_Int_Tables_number   1
_cell_volume   250.358
_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  0.241  0.983  0.500  1.0
  V  V1  1  0.509  0.517  0.000  1.0
  V  V2  1  0.755  0.012  0.500  1.0
  V  V3  1  0.995  0.488  0.000  1.0
  Re  Re4  1  0.474  0.002  1.000  1.0
  Re  Re5  1  0.721  0.499  0.500  1.0
  Re  Re6  1  0.029  0.001  1.000  1.0
  Re  Re7  1  0.276  0.498  0.500  1.0
  O  O8  1  0.386  0.273  0.500  1.0
  O  O9  1  0.654  0.810  1.000  1.0
  O  O10  1  0.905  0.308  0.500  1.0
  O  O11  1  0.138  0.773  1.000  1.0
  O  O12  1  0.096  0.690  0.500  1.0
  O  O13  1  0.364  0.227  0.000  1.0
  O  O14  1  0.612  0.727  0.500  1.0
  O  O15  1  0.845  0.192  0.000  1.0
  O  O16  1  0.490  0.999  0.295  1.0
  O  O17  1  0.744  0.502  0.798  1.0
  O  O18  1  0.006  0.998  0.298  1.0
  O  O19  1  0.260  0.501  0.795  1.0
  O  O20  1  0.490  0.999  0.705  1.0
  O  O21  1  0.744  0.502  0.202  1.0
  O  O22  1  0.006  0.998  0.702  1.0
  O  O23  1  0.260  0.501  0.205  1.0
[/CIF]
.