The material structure described by Cu2Mn3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Cu(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one Cu(1) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMn2Cu2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   5.030
_cell_angle_alpha   81.534
_cell_angle_beta   81.534
_cell_angle_gamma   61.526
_symmetry_Int_Tables_number   1
_cell_volume   137.961
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.744  0.256  0.500  1.0
  Mn  Mn2  1  0.256  0.744  0.500  1.0
  Cu  Cu3  1  0.711  0.711  0.925  1.0
  Cu  Cu4  1  0.289  0.289  0.075  1.0
  O  O5  1  0.101  0.101  0.640  1.0
  O  O6  1  0.899  0.899  0.360  1.0
  O  O7  1  0.393  0.393  0.388  1.0
  O  O8  1  0.607  0.607  0.612  1.0
  O  O9  1  0.109  0.651  0.861  1.0
  O  O10  1  0.651  0.109  0.861  1.0
  O  O11  1  0.349  0.891  0.139  1.0
  O  O12  1  0.891  0.349  0.139  1.0
[/CIF]
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The material structure described by Cu2Mn3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Cu(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with six equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one Cu(1) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OMn2Cu2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.628
_cell_length_c   5.030
_cell_angle_alpha   81.534
_cell_angle_beta   81.534
_cell_angle_gamma   61.526
_symmetry_Int_Tables_number   1
_cell_volume   137.961
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.744  0.256  0.500  1.0
  Mn  Mn2  1  0.256  0.744  0.500  1.0
  Cu  Cu3  1  0.711  0.711  0.925  1.0
  Cu  Cu4  1  0.289  0.289  0.075  1.0
  O  O5  1  0.101  0.101  0.640  1.0
  O  O6  1  0.899  0.899  0.360  1.0
  O  O7  1  0.393  0.393  0.388  1.0
  O  O8  1  0.607  0.607  0.612  1.0
  O  O9  1  0.109  0.651  0.861  1.0
  O  O10  1  0.651  0.109  0.861  1.0
  O  O11  1  0.349  0.891  0.139  1.0
  O  O12  1  0.891  0.349  0.139  1.0
[/CIF]
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