The material described by CrMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to one Cr(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.119
_cell_length_c   5.876
_cell_angle_alpha   61.611
_cell_angle_beta   61.611
_cell_angle_gamma   57.123
_symmetry_Int_Tables_number   1
_cell_volume   155.350
_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
  Mn  Mn0  1  0.628  0.628  0.117  1.0
  Mn  Mn1  1  0.372  0.372  0.883  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.223  0.223  0.297  1.0
  O  O7  1  0.251  0.251  0.714  1.0
  O  O8  1  0.749  0.749  0.286  1.0
  O  O9  1  0.777  0.777  0.703  1.0
  O  O10  1  0.229  0.782  0.752  1.0
  O  O11  1  0.782  0.229  0.752  1.0
  O  O12  1  0.218  0.771  0.248  1.0
  O  O13  1  0.771  0.218  0.248  1.0
[/CIF]
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The material described by CrMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded to one Cr(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMn3Cr trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.119
_cell_length_c   5.876
_cell_angle_alpha   61.611
_cell_angle_beta   61.611
_cell_angle_gamma   57.123
_symmetry_Int_Tables_number   1
_cell_volume   155.350
_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
  Mn  Mn0  1  0.628  0.628  0.117  1.0
  Mn  Mn1  1  0.372  0.372  0.883  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.223  0.223  0.297  1.0
  O  O7  1  0.251  0.251  0.714  1.0
  O  O8  1  0.749  0.749  0.286  1.0
  O  O9  1  0.777  0.777  0.703  1.0
  O  O10  1  0.229  0.782  0.752  1.0
  O  O11  1  0.782  0.229  0.752  1.0
  O  O12  1  0.218  0.771  0.248  1.0
  O  O13  1  0.771  0.218  0.248  1.0
[/CIF]
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