The crystal structure described by Cr2Mn5O12 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share edges with three equivalent Mn(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(4)O6 octahedra. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom 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 fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(4) 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(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Mn5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.174
_cell_length_c   10.028
_cell_angle_alpha   82.924
_cell_angle_beta   98.125
_cell_angle_gamma   58.288
_symmetry_Int_Tables_number   1
_cell_volume   221.203
_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  0.072  0.072  0.250  1.0
  Mn  Mn1  1  0.008  0.542  0.978  1.0
  Mn  Mn2  1  0.542  0.014  0.522  1.0
  Mn  Mn3  1  0.413  0.413  0.250  1.0
  Mn  Mn4  1  0.578  0.571  0.750  1.0
  Cr  Cr5  1  0.249  0.267  0.747  1.0
  Cr  Cr6  1  0.740  0.742  0.250  1.0
  O  O7  1  0.977  0.263  0.874  1.0
  O  O8  1  0.269  0.982  0.627  1.0
  O  O9  1  0.165  0.345  0.360  1.0
  O  O10  1  0.345  0.167  0.139  1.0
  O  O11  1  0.325  0.495  0.854  1.0
  O  O12  1  0.511  0.319  0.643  1.0
  O  O13  1  0.455  0.698  0.349  1.0
  O  O14  1  0.694  0.452  0.152  1.0
  O  O15  1  0.598  0.842  0.865  1.0
  O  O16  1  0.847  0.598  0.637  1.0
  O  O17  1  0.769  0.025  0.366  1.0
  O  O18  1  0.022  0.772  0.138  1.0
[/CIF]
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The crystal structure described by Cr2Mn5O12 crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share edges with three equivalent Mn(5)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(4)O6 octahedra. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom 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 fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(4) 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(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Cr(1), one Mn(2), and one Mn(5) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Cr(1), one Mn(3), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Mn5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.174
_cell_length_c   10.028
_cell_angle_alpha   82.924
_cell_angle_beta   98.125
_cell_angle_gamma   58.288
_symmetry_Int_Tables_number   1
_cell_volume   221.203
_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  0.072  0.072  0.250  1.0
  Mn  Mn1  1  0.008  0.542  0.978  1.0
  Mn  Mn2  1  0.542  0.014  0.522  1.0
  Mn  Mn3  1  0.413  0.413  0.250  1.0
  Mn  Mn4  1  0.578  0.571  0.750  1.0
  Cr  Cr5  1  0.249  0.267  0.747  1.0
  Cr  Cr6  1  0.740  0.742  0.250  1.0
  O  O7  1  0.977  0.263  0.874  1.0
  O  O8  1  0.269  0.982  0.627  1.0
  O  O9  1  0.165  0.345  0.360  1.0
  O  O10  1  0.345  0.167  0.139  1.0
  O  O11  1  0.325  0.495  0.854  1.0
  O  O12  1  0.511  0.319  0.643  1.0
  O  O13  1  0.455  0.698  0.349  1.0
  O  O14  1  0.694  0.452  0.152  1.0
  O  O15  1  0.598  0.842  0.865  1.0
  O  O16  1  0.847  0.598  0.637  1.0
  O  O17  1  0.769  0.025  0.366  1.0
  O  O18  1  0.022  0.772  0.138  1.0
[/CIF]
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