The crystal structure described by CrMn3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   8.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   256.430
_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  0.168  0.832  0.211  1.0
  Mn  Mn1  1  0.168  0.336  0.211  1.0
  Mn  Mn2  1  0.664  0.832  0.211  1.0
  Mn  Mn3  1  0.336  0.168  0.711  1.0
  Mn  Mn4  1  0.832  0.664  0.711  1.0
  Mn  Mn5  1  0.832  0.168  0.711  1.0
  Cr  Cr6  1  0.333  0.667  0.491  1.0
  Cr  Cr7  1  0.667  0.333  0.991  1.0
  O  O8  1  0.168  0.832  0.601  1.0
  O  O9  1  0.042  0.521  0.338  1.0
  O  O10  1  0.333  0.667  0.100  1.0
  O  O11  1  0.000  0.000  0.317  1.0
  O  O12  1  0.000  0.000  0.817  1.0
  O  O13  1  0.168  0.336  0.601  1.0
  O  O14  1  0.479  0.959  0.338  1.0
  O  O15  1  0.479  0.521  0.338  1.0
  O  O16  1  0.336  0.168  0.101  1.0
  O  O17  1  0.664  0.832  0.601  1.0
  O  O18  1  0.521  0.479  0.838  1.0
  O  O19  1  0.521  0.042  0.838  1.0
  O  O20  1  0.667  0.333  0.600  1.0
  O  O21  1  0.832  0.664  0.101  1.0
  O  O22  1  0.959  0.479  0.838  1.0
  O  O23  1  0.832  0.168  0.101  1.0
[/CIF]
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The crystal structure described by CrMn3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   8.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   256.430
_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  0.168  0.832  0.211  1.0
  Mn  Mn1  1  0.168  0.336  0.211  1.0
  Mn  Mn2  1  0.664  0.832  0.211  1.0
  Mn  Mn3  1  0.336  0.168  0.711  1.0
  Mn  Mn4  1  0.832  0.664  0.711  1.0
  Mn  Mn5  1  0.832  0.168  0.711  1.0
  Cr  Cr6  1  0.333  0.667  0.491  1.0
  Cr  Cr7  1  0.667  0.333  0.991  1.0
  O  O8  1  0.168  0.832  0.601  1.0
  O  O9  1  0.042  0.521  0.338  1.0
  O  O10  1  0.333  0.667  0.100  1.0
  O  O11  1  0.000  0.000  0.317  1.0
  O  O12  1  0.000  0.000  0.817  1.0
  O  O13  1  0.168  0.336  0.601  1.0
  O  O14  1  0.479  0.959  0.338  1.0
  O  O15  1  0.479  0.521  0.338  1.0
  O  O16  1  0.336  0.168  0.101  1.0
  O  O17  1  0.664  0.832  0.601  1.0
  O  O18  1  0.521  0.479  0.838  1.0
  O  O19  1  0.521  0.042  0.838  1.0
  O  O20  1  0.667  0.333  0.600  1.0
  O  O21  1  0.832  0.664  0.101  1.0
  O  O22  1  0.959  0.479  0.838  1.0
  O  O23  1  0.832  0.168  0.101  1.0
[/CIF]
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