The compound described by Cr3Mn3O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 Cr(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted OMnCr3 trigonal pyramids that share corners with three equivalent O(1)MnCr3 trigonal pyramids, corners with nine equivalent O(2)Mn2Cr2 trigonal pyramids, and edges with three equivalent O(2)Mn2Cr2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Cr(1), one Mn(1), and one Mn(2) atom to form distorted OMn2Cr2 trigonal pyramids that share corners with three equivalent O(1)MnCr3 trigonal pyramids, corners with nine equivalent O(2)Mn2Cr2 trigonal pyramids,  an edgeedge with one O(1)MnCr3 trigonal pyramid, and edges with two equivalent O(2)Mn2Cr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Cr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   6.104
_cell_angle_alpha   59.832
_cell_angle_beta   59.832
_cell_angle_gamma   59.832
_symmetry_Int_Tables_number   1
_cell_volume   160.240
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.236  0.236  0.236  1.0
  O  O7  1  0.240  0.789  0.240  1.0
  O  O8  1  0.789  0.240  0.240  1.0
  O  O9  1  0.240  0.240  0.789  1.0
  O  O10  1  0.764  0.764  0.764  1.0
  O  O11  1  0.760  0.211  0.760  1.0
  O  O12  1  0.211  0.760  0.760  1.0
  O  O13  1  0.760  0.760  0.211  1.0
[/CIF]
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The compound described by Cr3Mn3O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 Cr(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Mn site, Mn(2) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Mn(1) atom to form distorted OMnCr3 trigonal pyramids that share corners with three equivalent O(1)MnCr3 trigonal pyramids, corners with nine equivalent O(2)Mn2Cr2 trigonal pyramids, and edges with three equivalent O(2)Mn2Cr2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Cr(1), one Mn(1), and one Mn(2) atom to form distorted OMn2Cr2 trigonal pyramids that share corners with three equivalent O(1)MnCr3 trigonal pyramids, corners with nine equivalent O(2)Mn2Cr2 trigonal pyramids,  an edgeedge with one O(1)MnCr3 trigonal pyramid, and edges with two equivalent O(2)Mn2Cr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Cr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   6.104
_cell_angle_alpha   59.832
_cell_angle_beta   59.832
_cell_angle_gamma   59.832
_symmetry_Int_Tables_number   1
_cell_volume   160.240
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.236  0.236  0.236  1.0
  O  O7  1  0.240  0.789  0.240  1.0
  O  O8  1  0.789  0.240  0.240  1.0
  O  O9  1  0.240  0.240  0.789  1.0
  O  O10  1  0.764  0.764  0.764  1.0
  O  O11  1  0.760  0.211  0.760  1.0
  O  O12  1  0.211  0.760  0.760  1.0
  O  O13  1  0.760  0.760  0.211  1.0
[/CIF]
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