The compound described by CuMn2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5) and three equivalent O(11) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(9) and three equivalent O(4) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with four equivalent Mn(5)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Cu(4)O4 tetrahedra, corners with three equivalent Cu(6)O4 tetrahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10) and three equivalent O(1) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Cu site, Cu(2) is bonded to one O(2) and three equivalent O(3) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the third Cu site, Cu(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CuO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(6) and three equivalent O(7) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with six equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the fifth Cu site, Cu(5) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. In the sixth Cu site, Cu(6) is bonded to one O(12) and three equivalent O(8) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with six equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn(2), one Cu(1), and one Cu(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(4), one Cu(2), and one Cu(5) atom. In the fourth O site, O(4) is bonded to one Mn(3), two equivalent Mn(2), and one Cu(5) atom to form distorted OMn3Cu trigonal pyramids that share  a cornercorner with one O(9)Mn4 trigonal pyramid, corners with two equivalent O(4)Mn3Cu trigonal pyramids,  an edgeedge with one O(5)Mn4 trigonal pyramid, and edges with two equivalent O(4)Mn3Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form distorted edge-sharing OMn4 trigonal pyramids. In the sixth O site, O(6) is bonded to three equivalent Mn(4) and one Cu(4) atom to form distorted OMn3Cu trigonal pyramids that share corners with three equivalent O(7)Mn3Cu trigonal pyramids, corners with three equivalent O(9)Mn4 trigonal pyramids, and corners with six equivalent O(8)Mn3Cu trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(6), two equivalent Mn(5), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(6), two equivalent Mn(4), and one Cu(6) atom to form distorted OMn3Cu trigonal pyramids that share  a cornercorner with one O(12)Mn3Cu trigonal pyramid, corners with two equivalent O(6)Mn3Cu trigonal pyramids, corners with two equivalent O(8)Mn3Cu trigonal pyramids, corners with three equivalent O(7)Mn3Cu trigonal pyramids,  an edgeedge with one O(9)Mn4 trigonal pyramid, and edges with two equivalent O(8)Mn3Cu trigonal pyramids. In the ninth O site, O(9) is bonded to one Mn(3) and three equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(5) and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(5), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to three equivalent Mn(5) and one Cu(6) atom to form distorted corner-sharing OMn3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.059
_cell_length_b   6.059
_cell_length_c   18.130
_cell_angle_alpha   59.914
_cell_angle_beta   59.914
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   470.039
_cell_formula_units_Z   6
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  0.002  0.002  0.998  1.0
  Mn  Mn1  1  0.127  0.624  0.208  1.0
  Mn  Mn2  1  0.624  0.127  0.208  1.0
  Mn  Mn3  1  0.003  0.003  0.331  1.0
  Mn  Mn4  1  0.624  0.624  0.208  1.0
  Mn  Mn5  1  0.127  0.623  0.542  1.0
  Mn  Mn6  1  0.623  0.127  0.542  1.0
  Mn  Mn7  1  0.623  0.623  0.542  1.0
  Mn  Mn8  1  0.126  0.626  0.874  1.0
  Mn  Mn9  1  0.626  0.126  0.874  1.0
  Mn  Mn10  1  0.626  0.626  0.707  1.0
  Mn  Mn11  1  0.626  0.626  0.874  1.0
  Cu  Cu12  1  0.249  0.249  0.085  1.0
  Cu  Cu13  1  0.247  0.247  0.420  1.0
  Cu  Cu14  1  0.625  0.625  0.042  1.0
  Cu  Cu15  1  0.250  0.250  0.750  1.0
  Cu  Cu16  1  0.624  0.624  0.376  1.0
  Cu  Cu17  1  0.000  0.000  0.666  1.0
  O  O18  1  0.381  0.381  0.134  1.0
  O  O19  1  0.381  0.837  0.134  1.0
  O  O20  1  0.381  0.381  0.286  1.0
  O  O21  1  0.380  0.380  0.468  1.0
  O  O22  1  0.416  0.868  0.283  1.0
  O  O23  1  0.837  0.381  0.134  1.0
  O  O24  1  0.866  0.866  0.134  1.0
  O  O25  1  0.380  0.838  0.468  1.0
  O  O26  1  0.868  0.416  0.283  1.0
  O  O27  1  0.383  0.383  0.617  1.0
  O  O28  1  0.386  0.386  0.797  1.0
  O  O29  1  0.412  0.865  0.620  1.0
  O  O30  1  0.868  0.868  0.283  1.0
  O  O31  1  0.838  0.380  0.468  1.0
  O  O32  1  0.864  0.864  0.469  1.0
  O  O33  1  0.386  0.838  0.797  1.0
  O  O34  1  0.865  0.412  0.620  1.0
  O  O35  1  0.383  0.383  0.950  1.0
  O  O36  1  0.838  0.386  0.797  1.0
  O  O37  1  0.865  0.865  0.620  1.0
  O  O38  1  0.416  0.870  0.948  1.0
  O  O39  1  0.868  0.868  0.798  1.0
  O  O40  1  0.870  0.416  0.948  1.0
  O  O41  1  0.870  0.870  0.948  1.0
[/CIF]
.
The compound described by CuMn2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5) and three equivalent O(11) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(9) and three equivalent O(4) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Cu(5)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and edges with four equivalent Mn(5)O6 octahedra. In the sixth Mn site, Mn(6) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Cu(4)O4 tetrahedra, corners with three equivalent Cu(6)O4 tetrahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10) and three equivalent O(1) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Cu(3)O6 octahedra, and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Cu site, Cu(2) is bonded to one O(2) and three equivalent O(3) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(5)O6 octahedra, and corners with six equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the third Cu site, Cu(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CuO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(6) and three equivalent O(7) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with six equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the fifth Cu site, Cu(5) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, corners with three equivalent Cu(2)O4 tetrahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. In the sixth Cu site, Cu(6) is bonded to one O(12) and three equivalent O(8) atoms to form CuO4 tetrahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and corners with six equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn(2), one Cu(1), and one Cu(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Mn(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(4), one Cu(2), and one Cu(5) atom. In the fourth O site, O(4) is bonded to one Mn(3), two equivalent Mn(2), and one Cu(5) atom to form distorted OMn3Cu trigonal pyramids that share  a cornercorner with one O(9)Mn4 trigonal pyramid, corners with two equivalent O(4)Mn3Cu trigonal pyramids,  an edgeedge with one O(5)Mn4 trigonal pyramid, and edges with two equivalent O(4)Mn3Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form distorted edge-sharing OMn4 trigonal pyramids. In the sixth O site, O(6) is bonded to three equivalent Mn(4) and one Cu(4) atom to form distorted OMn3Cu trigonal pyramids that share corners with three equivalent O(7)Mn3Cu trigonal pyramids, corners with three equivalent O(9)Mn4 trigonal pyramids, and corners with six equivalent O(8)Mn3Cu trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(6), two equivalent Mn(5), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OMn3Cu trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(6), two equivalent Mn(4), and one Cu(6) atom to form distorted OMn3Cu trigonal pyramids that share  a cornercorner with one O(12)Mn3Cu trigonal pyramid, corners with two equivalent O(6)Mn3Cu trigonal pyramids, corners with two equivalent O(8)Mn3Cu trigonal pyramids, corners with three equivalent O(7)Mn3Cu trigonal pyramids,  an edgeedge with one O(9)Mn4 trigonal pyramid, and edges with two equivalent O(8)Mn3Cu trigonal pyramids. In the ninth O site, O(9) is bonded to one Mn(3) and three equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(5) and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(5), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to three equivalent Mn(5) and one Cu(6) atom to form distorted corner-sharing OMn3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Mn2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.059
_cell_length_b   6.059
_cell_length_c   18.130
_cell_angle_alpha   59.914
_cell_angle_beta   59.914
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   470.039
_cell_formula_units_Z   6
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  0.002  0.002  0.998  1.0
  Mn  Mn1  1  0.127  0.624  0.208  1.0
  Mn  Mn2  1  0.624  0.127  0.208  1.0
  Mn  Mn3  1  0.003  0.003  0.331  1.0
  Mn  Mn4  1  0.624  0.624  0.208  1.0
  Mn  Mn5  1  0.127  0.623  0.542  1.0
  Mn  Mn6  1  0.623  0.127  0.542  1.0
  Mn  Mn7  1  0.623  0.623  0.542  1.0
  Mn  Mn8  1  0.126  0.626  0.874  1.0
  Mn  Mn9  1  0.626  0.126  0.874  1.0
  Mn  Mn10  1  0.626  0.626  0.707  1.0
  Mn  Mn11  1  0.626  0.626  0.874  1.0
  Cu  Cu12  1  0.249  0.249  0.085  1.0
  Cu  Cu13  1  0.247  0.247  0.420  1.0
  Cu  Cu14  1  0.625  0.625  0.042  1.0
  Cu  Cu15  1  0.250  0.250  0.750  1.0
  Cu  Cu16  1  0.624  0.624  0.376  1.0
  Cu  Cu17  1  0.000  0.000  0.666  1.0
  O  O18  1  0.381  0.381  0.134  1.0
  O  O19  1  0.381  0.837  0.134  1.0
  O  O20  1  0.381  0.381  0.286  1.0
  O  O21  1  0.380  0.380  0.468  1.0
  O  O22  1  0.416  0.868  0.283  1.0
  O  O23  1  0.837  0.381  0.134  1.0
  O  O24  1  0.866  0.866  0.134  1.0
  O  O25  1  0.380  0.838  0.468  1.0
  O  O26  1  0.868  0.416  0.283  1.0
  O  O27  1  0.383  0.383  0.617  1.0
  O  O28  1  0.386  0.386  0.797  1.0
  O  O29  1  0.412  0.865  0.620  1.0
  O  O30  1  0.868  0.868  0.283  1.0
  O  O31  1  0.838  0.380  0.468  1.0
  O  O32  1  0.864  0.864  0.469  1.0
  O  O33  1  0.386  0.838  0.797  1.0
  O  O34  1  0.865  0.412  0.620  1.0
  O  O35  1  0.383  0.383  0.950  1.0
  O  O36  1  0.838  0.386  0.797  1.0
  O  O37  1  0.865  0.865  0.620  1.0
  O  O38  1  0.416  0.870  0.948  1.0
  O  O39  1  0.868  0.868  0.798  1.0
  O  O40  1  0.870  0.416  0.948  1.0
  O  O41  1  0.870  0.870  0.948  1.0
[/CIF]
.