The material structure described by MgNbVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.367
_cell_length_c   5.367
_cell_angle_alpha   134.048
_cell_angle_beta   134.108
_cell_angle_gamma   66.955
_symmetry_Int_Tables_number   1
_cell_volume   78.552
_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
  Mg  Mg0  1  0.199  0.732  0.467  1.0
  Nb  Nb1  1  0.949  0.984  0.966  1.0
  V  V2  1  0.702  0.236  0.467  1.0
  O  O3  1  0.446  0.980  0.467  1.0
  O  O4  1  0.188  0.221  0.967  1.0
  O  O5  1  0.954  0.488  0.467  1.0
  O  O6  1  0.712  0.746  0.967  1.0
[/CIF]
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The material structure described by MgNbVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNbVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.367
_cell_length_c   5.367
_cell_angle_alpha   134.048
_cell_angle_beta   134.108
_cell_angle_gamma   66.955
_symmetry_Int_Tables_number   1
_cell_volume   78.552
_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
  Mg  Mg0  1  0.199  0.732  0.467  1.0
  Nb  Nb1  1  0.949  0.984  0.966  1.0
  V  V2  1  0.702  0.236  0.467  1.0
  O  O3  1  0.446  0.980  0.467  1.0
  O  O4  1  0.188  0.221  0.967  1.0
  O  O5  1  0.954  0.488  0.467  1.0
  O  O6  1  0.712  0.746  0.967  1.0
[/CIF]
.