The material described by MnV2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second V site, V(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(2) and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMn2V3 square pyramids. In the second O site, O(2) is bonded to three equivalent V(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn2V3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one V(2), two equivalent V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one V(1), two equivalent V(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.007
_cell_length_b   9.263
_cell_length_c   10.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.244
_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
  Mn  Mn0  1  0.250  0.752  0.650  1.0
  Mn  Mn1  1  0.250  0.252  0.850  1.0
  Mn  Mn2  1  0.750  0.748  0.150  1.0
  Mn  Mn3  1  0.750  0.248  0.350  1.0
  V  V4  1  0.250  0.434  0.618  1.0
  V  V5  1  0.750  0.084  0.604  1.0
  V  V6  1  0.250  0.934  0.882  1.0
  V  V7  1  0.750  0.584  0.896  1.0
  V  V8  1  0.250  0.416  0.104  1.0
  V  V9  1  0.750  0.066  0.118  1.0
  V  V10  1  0.250  0.916  0.396  1.0
  V  V11  1  0.750  0.566  0.382  1.0
  O  O12  1  0.250  0.123  0.473  1.0
  O  O13  1  0.750  0.877  0.527  1.0
  O  O14  1  0.750  0.586  0.572  1.0
  O  O15  1  0.750  0.292  0.676  1.0
  O  O16  1  0.250  0.026  0.716  1.0
  O  O17  1  0.250  0.526  0.784  1.0
  O  O18  1  0.750  0.792  0.824  1.0
  O  O19  1  0.750  0.086  0.928  1.0
  O  O20  1  0.750  0.377  0.973  1.0
  O  O21  1  0.250  0.623  0.027  1.0
  O  O22  1  0.250  0.914  0.072  1.0
  O  O23  1  0.250  0.208  0.176  1.0
  O  O24  1  0.750  0.474  0.216  1.0
  O  O25  1  0.750  0.974  0.284  1.0
  O  O26  1  0.250  0.708  0.324  1.0
  O  O27  1  0.250  0.414  0.428  1.0
[/CIF]
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The material described by MnV2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second V site, V(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent V(2) and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMn2V3 square pyramids. In the second O site, O(2) is bonded to three equivalent V(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn2V3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one V(2), two equivalent V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one V(1), two equivalent V(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.007
_cell_length_b   9.263
_cell_length_c   10.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.244
_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
  Mn  Mn0  1  0.250  0.752  0.650  1.0
  Mn  Mn1  1  0.250  0.252  0.850  1.0
  Mn  Mn2  1  0.750  0.748  0.150  1.0
  Mn  Mn3  1  0.750  0.248  0.350  1.0
  V  V4  1  0.250  0.434  0.618  1.0
  V  V5  1  0.750  0.084  0.604  1.0
  V  V6  1  0.250  0.934  0.882  1.0
  V  V7  1  0.750  0.584  0.896  1.0
  V  V8  1  0.250  0.416  0.104  1.0
  V  V9  1  0.750  0.066  0.118  1.0
  V  V10  1  0.250  0.916  0.396  1.0
  V  V11  1  0.750  0.566  0.382  1.0
  O  O12  1  0.250  0.123  0.473  1.0
  O  O13  1  0.750  0.877  0.527  1.0
  O  O14  1  0.750  0.586  0.572  1.0
  O  O15  1  0.750  0.292  0.676  1.0
  O  O16  1  0.250  0.026  0.716  1.0
  O  O17  1  0.250  0.526  0.784  1.0
  O  O18  1  0.750  0.792  0.824  1.0
  O  O19  1  0.750  0.086  0.928  1.0
  O  O20  1  0.750  0.377  0.973  1.0
  O  O21  1  0.250  0.623  0.027  1.0
  O  O22  1  0.250  0.914  0.072  1.0
  O  O23  1  0.250  0.208  0.176  1.0
  O  O24  1  0.750  0.474  0.216  1.0
  O  O25  1  0.750  0.974  0.284  1.0
  O  O26  1  0.250  0.708  0.324  1.0
  O  O27  1  0.250  0.414  0.428  1.0
[/CIF]
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