The compound described by Cr2Mn5O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share edges with three equivalent Mn(4)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(3)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   5.173
_cell_length_c   9.858
_cell_angle_alpha   83.225
_cell_angle_beta   83.225
_cell_angle_gamma   121.743
_symmetry_Int_Tables_number   1
_cell_volume   217.618
_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  0.326  0.674  0.500  1.0
  Mn  Mn1  1  0.524  0.476  0.771  1.0
  Mn  Mn2  1  0.524  0.476  0.229  1.0
  Mn  Mn3  1  0.668  0.332  0.500  1.0
  Mn  Mn4  1  0.320  0.680  0.000  1.0
  Cr  Cr5  1  0.003  0.997  0.000  1.0
  Cr  Cr6  1  0.996  0.004  0.500  1.0
  O  O7  1  0.139  0.404  0.874  1.0
  O  O8  1  0.596  0.861  0.126  1.0
  O  O9  1  0.712  0.692  0.389  1.0
  O  O10  1  0.308  0.288  0.611  1.0
  O  O11  1  0.360  0.046  0.897  1.0
  O  O12  1  0.954  0.640  0.103  1.0
  O  O13  1  0.053  0.392  0.400  1.0
  O  O14  1  0.608  0.947  0.600  1.0
  O  O15  1  0.711  0.777  0.884  1.0
  O  O16  1  0.223  0.289  0.116  1.0
  O  O17  1  0.394  0.089  0.386  1.0
  O  O18  1  0.911  0.606  0.614  1.0
[/CIF]
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The compound described by Cr2Mn5O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share edges with three equivalent Mn(4)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(3)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   5.173
_cell_length_c   9.858
_cell_angle_alpha   83.225
_cell_angle_beta   83.225
_cell_angle_gamma   121.743
_symmetry_Int_Tables_number   1
_cell_volume   217.618
_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  0.326  0.674  0.500  1.0
  Mn  Mn1  1  0.524  0.476  0.771  1.0
  Mn  Mn2  1  0.524  0.476  0.229  1.0
  Mn  Mn3  1  0.668  0.332  0.500  1.0
  Mn  Mn4  1  0.320  0.680  0.000  1.0
  Cr  Cr5  1  0.003  0.997  0.000  1.0
  Cr  Cr6  1  0.996  0.004  0.500  1.0
  O  O7  1  0.139  0.404  0.874  1.0
  O  O8  1  0.596  0.861  0.126  1.0
  O  O9  1  0.712  0.692  0.389  1.0
  O  O10  1  0.308  0.288  0.611  1.0
  O  O11  1  0.360  0.046  0.897  1.0
  O  O12  1  0.954  0.640  0.103  1.0
  O  O13  1  0.053  0.392  0.400  1.0
  O  O14  1  0.608  0.947  0.600  1.0
  O  O15  1  0.711  0.777  0.884  1.0
  O  O16  1  0.223  0.289  0.116  1.0
  O  O17  1  0.394  0.089  0.386  1.0
  O  O18  1  0.911  0.606  0.614  1.0
[/CIF]
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