The material described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(10), and two equivalent O(12) 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(4)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(7), two equivalent O(11), and two equivalent O(9) 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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-49°. In the third V site, V(3) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(9) 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 41-50°. In the fourth V site, V(4) is bonded to one O(4), one O(8), two equivalent O(10), and two equivalent O(12) 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(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the second Re site, Re(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Re(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(4) and two equivalent Re(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent Re(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(4) and two equivalent Re(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Re(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Re(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Re(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   5.709
_cell_length_c   9.997
_cell_angle_alpha   73.413
_cell_angle_beta   91.669
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   262.538
_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  0.510  0.132  0.237  1.0
  V  V1  1  0.500  0.874  0.750  1.0
  V  V2  1  0.501  0.375  0.749  1.0
  V  V3  1  0.489  0.619  0.264  1.0
  Re  Re4  1  0.001  0.779  0.499  1.0
  Re  Re5  1  0.998  0.528  0.001  1.0
  Re  Re6  1  0.002  0.222  0.499  1.0
  Re  Re7  1  0.998  0.971  0.001  1.0
  O  O8  1  0.191  0.297  0.906  1.0
  O  O9  1  0.222  0.058  0.385  1.0
  O  O10  1  0.218  0.805  0.890  1.0
  O  O11  1  0.188  0.547  0.406  1.0
  O  O12  1  0.810  0.453  0.594  1.0
  O  O13  1  0.810  0.203  0.094  1.0
  O  O14  1  0.785  0.944  0.611  1.0
  O  O15  1  0.775  0.693  0.114  1.0
  O  O16  1  0.290  0.682  0.642  1.0
  O  O17  1  0.286  0.438  0.144  1.0
  O  O18  1  0.290  0.175  0.642  1.0
  O  O19  1  0.286  0.919  0.144  1.0
  O  O20  1  0.712  0.575  0.857  1.0
  O  O21  1  0.712  0.313  0.357  1.0
  O  O22  1  0.712  0.068  0.857  1.0
  O  O23  1  0.712  0.831  0.357  1.0
[/CIF]
.
The material described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(10), and two equivalent O(12) 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(4)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(7), two equivalent O(11), and two equivalent O(9) 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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-49°. In the third V site, V(3) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(9) 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 41-50°. In the fourth V site, V(4) is bonded to one O(4), one O(8), two equivalent O(10), and two equivalent O(12) 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(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the second Re site, Re(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Re(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(4) and two equivalent Re(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent Re(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(4) and two equivalent Re(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Re(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Re(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Re(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   5.709
_cell_length_c   9.997
_cell_angle_alpha   73.413
_cell_angle_beta   91.669
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   262.538
_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  0.510  0.132  0.237  1.0
  V  V1  1  0.500  0.874  0.750  1.0
  V  V2  1  0.501  0.375  0.749  1.0
  V  V3  1  0.489  0.619  0.264  1.0
  Re  Re4  1  0.001  0.779  0.499  1.0
  Re  Re5  1  0.998  0.528  0.001  1.0
  Re  Re6  1  0.002  0.222  0.499  1.0
  Re  Re7  1  0.998  0.971  0.001  1.0
  O  O8  1  0.191  0.297  0.906  1.0
  O  O9  1  0.222  0.058  0.385  1.0
  O  O10  1  0.218  0.805  0.890  1.0
  O  O11  1  0.188  0.547  0.406  1.0
  O  O12  1  0.810  0.453  0.594  1.0
  O  O13  1  0.810  0.203  0.094  1.0
  O  O14  1  0.785  0.944  0.611  1.0
  O  O15  1  0.775  0.693  0.114  1.0
  O  O16  1  0.290  0.682  0.642  1.0
  O  O17  1  0.286  0.438  0.144  1.0
  O  O18  1  0.290  0.175  0.642  1.0
  O  O19  1  0.286  0.919  0.144  1.0
  O  O20  1  0.712  0.575  0.857  1.0
  O  O21  1  0.712  0.313  0.357  1.0
  O  O22  1  0.712  0.068  0.857  1.0
  O  O23  1  0.712  0.831  0.357  1.0
[/CIF]
.