The compound described by Mn2CrO4 is Spinel-like structured and crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mn(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, 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 Mn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Cr(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.022
_cell_angle_alpha   119.238
_cell_angle_beta   119.238
_cell_angle_gamma   91.376
_symmetry_Int_Tables_number   1
_cell_volume   157.958
_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  0.125  0.375  0.750  1.0
  Mn  Mn1  1  0.999  0.001  0.000  1.0
  Mn  Mn2  1  0.251  0.749  0.500  1.0
  Mn  Mn3  1  0.625  0.875  0.250  1.0
  Cr  Cr4  1  0.625  0.375  0.750  1.0
  Cr  Cr5  1  0.625  0.375  0.250  1.0
  O  O6  1  0.398  0.158  0.782  1.0
  O  O7  1  0.389  0.608  0.772  1.0
  O  O8  1  0.392  0.611  0.228  1.0
  O  O9  1  0.408  0.148  0.282  1.0
  O  O10  1  0.861  0.142  0.728  1.0
  O  O11  1  0.852  0.592  0.718  1.0
  O  O12  1  0.842  0.602  0.218  1.0
  O  O13  1  0.858  0.139  0.272  1.0
[/CIF]
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The compound described by Mn2CrO4 is Spinel-like structured and crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mn(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, 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 Mn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Cr(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.022
_cell_angle_alpha   119.238
_cell_angle_beta   119.238
_cell_angle_gamma   91.376
_symmetry_Int_Tables_number   1
_cell_volume   157.958
_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  0.125  0.375  0.750  1.0
  Mn  Mn1  1  0.999  0.001  0.000  1.0
  Mn  Mn2  1  0.251  0.749  0.500  1.0
  Mn  Mn3  1  0.625  0.875  0.250  1.0
  Cr  Cr4  1  0.625  0.375  0.750  1.0
  Cr  Cr5  1  0.625  0.375  0.250  1.0
  O  O6  1  0.398  0.158  0.782  1.0
  O  O7  1  0.389  0.608  0.772  1.0
  O  O8  1  0.392  0.611  0.228  1.0
  O  O9  1  0.408  0.148  0.282  1.0
  O  O10  1  0.861  0.142  0.728  1.0
  O  O11  1  0.852  0.592  0.718  1.0
  O  O12  1  0.842  0.602  0.218  1.0
  O  O13  1  0.858  0.139  0.272  1.0
[/CIF]
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