The structure described by CuMgVO4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, corners with six equivalent Cu(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O4 tetrahedra, and  an edgeedge with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMg2VCu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   5.261
_cell_length_c   6.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.153
_symmetry_Int_Tables_number   1
_cell_volume   161.363
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.357  0.643  0.250  1.0
  V  V3  1  0.643  0.357  0.750  1.0
  Cu  Cu4  1  0.666  0.334  0.250  1.0
  Cu  Cu5  1  0.334  0.666  0.750  1.0
  O  O6  1  0.223  0.270  0.250  1.0
  O  O7  1  0.270  0.223  0.750  1.0
  O  O8  1  0.777  0.730  0.750  1.0
  O  O9  1  0.730  0.777  0.250  1.0
  O  O10  1  0.240  0.760  0.029  1.0
  O  O11  1  0.760  0.240  0.971  1.0
  O  O12  1  0.240  0.760  0.471  1.0
  O  O13  1  0.760  0.240  0.529  1.0
[/CIF]
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The structure described by CuMgVO4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, corners with six equivalent Cu(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O4 tetrahedra, and  an edgeedge with one Cu(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CuO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OMg2VCu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   5.261
_cell_length_c   6.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.153
_symmetry_Int_Tables_number   1
_cell_volume   161.363
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.357  0.643  0.250  1.0
  V  V3  1  0.643  0.357  0.750  1.0
  Cu  Cu4  1  0.666  0.334  0.250  1.0
  Cu  Cu5  1  0.334  0.666  0.750  1.0
  O  O6  1  0.223  0.270  0.250  1.0
  O  O7  1  0.270  0.223  0.750  1.0
  O  O8  1  0.777  0.730  0.750  1.0
  O  O9  1  0.730  0.777  0.250  1.0
  O  O10  1  0.240  0.760  0.029  1.0
  O  O11  1  0.760  0.240  0.971  1.0
  O  O12  1  0.240  0.760  0.471  1.0
  O  O13  1  0.760  0.240  0.529  1.0
[/CIF]
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