The structure described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with two equivalent Re(3)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with two equivalent Re(3)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(3) 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 45-46°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the third Re site, Re(3) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(4) 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 45-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one Re(2), and one Re(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one Re(2), and one Re(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent 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. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Re(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Re(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent V(1) 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   2.897
_cell_length_b   4.776
_cell_length_c   4.778
_cell_angle_alpha   88.106
_cell_angle_beta   89.997
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   66.077
_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
  O  O0  1  0.500  0.207  0.207  1.0
  O  O1  1  0.500  0.793  0.793  1.0
  O  O2  1  1.000  0.711  0.288  1.0
  O  O3  1  1.000  0.288  0.712  1.0
  Re  Re4  1  0.000  0.000  1.000  1.0
  V  V5  1  0.500  0.501  0.500  1.0
[/CIF]
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The structure described by ReVO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with two equivalent Re(3)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with two equivalent Re(3)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(3) 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 45-46°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(9) atom to form ReO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the third Re site, Re(3) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(4) 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 45-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one Re(2), and one Re(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one Re(2), and one Re(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent 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. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Re(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Re(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Re(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent V(1) 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   2.897
_cell_length_b   4.776
_cell_length_c   4.778
_cell_angle_alpha   88.106
_cell_angle_beta   89.997
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   66.077
_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
  O  O0  1  0.500  0.207  0.207  1.0
  O  O1  1  0.500  0.793  0.793  1.0
  O  O2  1  1.000  0.711  0.288  1.0
  O  O3  1  1.000  0.288  0.712  1.0
  Re  Re4  1  0.000  0.000  1.000  1.0
  V  V5  1  0.500  0.501  0.500  1.0
[/CIF]
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