The crystal structure described by VMnCuO4 crystallizes in the orthorhombic Cmcm space group. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OMn2VCu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   6.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.551
_symmetry_Int_Tables_number   1
_cell_volume   169.269
_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
  Mn  Mn0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  1.000  0.000  1.000  1.0
  V  V2  1  0.361  0.639  0.750  1.0
  V  V3  1  0.639  0.361  0.250  1.0
  Cu  Cu4  1  0.676  0.324  0.750  1.0
  Cu  Cu5  1  0.324  0.676  0.250  1.0
  O  O6  1  0.247  0.753  0.970  1.0
  O  O7  1  0.753  0.247  0.470  1.0
  O  O8  1  0.753  0.247  0.030  1.0
  O  O9  1  0.247  0.753  0.530  1.0
  O  O10  1  0.234  0.274  0.750  1.0
  O  O11  1  0.766  0.726  0.250  1.0
  O  O12  1  0.726  0.766  0.750  1.0
  O  O13  1  0.274  0.234  0.250  1.0
[/CIF]
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The crystal structure described by VMnCuO4 crystallizes in the orthorhombic Cmcm space group. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded to one V(1), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OMn2VCu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   6.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.551
_symmetry_Int_Tables_number   1
_cell_volume   169.269
_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
  Mn  Mn0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  1.000  0.000  1.000  1.0
  V  V2  1  0.361  0.639  0.750  1.0
  V  V3  1  0.639  0.361  0.250  1.0
  Cu  Cu4  1  0.676  0.324  0.750  1.0
  Cu  Cu5  1  0.324  0.676  0.250  1.0
  O  O6  1  0.247  0.753  0.970  1.0
  O  O7  1  0.753  0.247  0.470  1.0
  O  O8  1  0.753  0.247  0.030  1.0
  O  O9  1  0.247  0.753  0.530  1.0
  O  O10  1  0.234  0.274  0.750  1.0
  O  O11  1  0.766  0.726  0.250  1.0
  O  O12  1  0.726  0.766  0.750  1.0
  O  O13  1  0.274  0.234  0.250  1.0
[/CIF]
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