The compound described by Li2Mn3CuO8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Cu(1) atom. In the third O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Cu(1) atom to form distorted OLiMn2Cu tetrahedra that share  a cornercorner with one O(6)LiMn2Cu tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, and  an edgeedge with one O(6)LiMn2Cu tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted corner-sharing OLiMn3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Cu(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(3), and one Cu(1) atom to form OLiMn2Cu tetrahedra that share  a cornercorner with one O(2)LiMn2Cu tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, and  an edgeedge with one O(2)LiMn2Cu tetrahedra. In the eighth O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   5.823
_cell_length_c   9.673
_cell_angle_alpha   87.363
_cell_angle_beta   91.319
_cell_angle_gamma   120.020
_symmetry_Int_Tables_number   1
_cell_volume   283.490
_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
  Li  Li0  1  0.333  0.657  0.891  1.0
  Li  Li1  1  1.000  0.013  0.997  1.0
  Li  Li2  1  0.000  0.013  0.497  1.0
  Li  Li3  1  0.667  0.324  0.391  1.0
  Mn  Mn4  1  0.168  0.832  0.215  1.0
  Mn  Mn5  1  0.171  0.339  0.214  1.0
  Mn  Mn6  1  0.663  0.830  0.215  1.0
  Mn  Mn7  1  0.337  0.167  0.715  1.0
  Mn  Mn8  1  0.832  0.665  0.715  1.0
  Mn  Mn9  1  0.829  0.168  0.714  1.0
  Cu  Cu10  1  0.333  0.669  0.494  1.0
  Cu  Cu11  1  0.667  0.336  0.994  1.0
  O  O12  1  0.157  0.849  0.608  1.0
  O  O13  1  0.036  0.509  0.331  1.0
  O  O14  1  0.333  0.675  0.108  1.0
  O  O15  1  0.000  0.994  0.312  1.0
  O  O16  1  1.000  0.994  0.812  1.0
  O  O17  1  0.159  0.325  0.605  1.0
  O  O18  1  0.481  0.954  0.335  1.0
  O  O19  1  0.485  0.506  0.324  1.0
  O  O20  1  0.316  0.165  0.105  1.0
  O  O21  1  0.684  0.848  0.605  1.0
  O  O22  1  0.519  0.472  0.835  1.0
  O  O23  1  0.515  0.022  0.824  1.0
  O  O24  1  0.667  0.342  0.608  1.0
  O  O25  1  0.843  0.692  0.108  1.0
  O  O26  1  0.964  0.473  0.831  1.0
  O  O27  1  0.841  0.166  0.105  1.0
[/CIF]
.
The compound described by Li2Mn3CuO8 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Cu(1) atom. In the third O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Cu(1) atom to form distorted OLiMn2Cu tetrahedra that share  a cornercorner with one O(6)LiMn2Cu tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, and  an edgeedge with one O(6)LiMn2Cu tetrahedra. In the fourth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(4) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted corner-sharing OLiMn3 tetrahedra. In the sixth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Cu(1) atom. In the seventh O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(3), and one Cu(1) atom to form OLiMn2Cu tetrahedra that share  a cornercorner with one O(2)LiMn2Cu tetrahedra, corners with two equivalent O(4)LiMn3 tetrahedra, and  an edgeedge with one O(2)LiMn2Cu tetrahedra. In the eighth O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.819
_cell_length_b   5.823
_cell_length_c   9.673
_cell_angle_alpha   87.363
_cell_angle_beta   91.319
_cell_angle_gamma   120.020
_symmetry_Int_Tables_number   1
_cell_volume   283.490
_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
  Li  Li0  1  0.333  0.657  0.891  1.0
  Li  Li1  1  1.000  0.013  0.997  1.0
  Li  Li2  1  0.000  0.013  0.497  1.0
  Li  Li3  1  0.667  0.324  0.391  1.0
  Mn  Mn4  1  0.168  0.832  0.215  1.0
  Mn  Mn5  1  0.171  0.339  0.214  1.0
  Mn  Mn6  1  0.663  0.830  0.215  1.0
  Mn  Mn7  1  0.337  0.167  0.715  1.0
  Mn  Mn8  1  0.832  0.665  0.715  1.0
  Mn  Mn9  1  0.829  0.168  0.714  1.0
  Cu  Cu10  1  0.333  0.669  0.494  1.0
  Cu  Cu11  1  0.667  0.336  0.994  1.0
  O  O12  1  0.157  0.849  0.608  1.0
  O  O13  1  0.036  0.509  0.331  1.0
  O  O14  1  0.333  0.675  0.108  1.0
  O  O15  1  0.000  0.994  0.312  1.0
  O  O16  1  1.000  0.994  0.812  1.0
  O  O17  1  0.159  0.325  0.605  1.0
  O  O18  1  0.481  0.954  0.335  1.0
  O  O19  1  0.485  0.506  0.324  1.0
  O  O20  1  0.316  0.165  0.105  1.0
  O  O21  1  0.684  0.848  0.605  1.0
  O  O22  1  0.519  0.472  0.835  1.0
  O  O23  1  0.515  0.022  0.824  1.0
  O  O24  1  0.667  0.342  0.608  1.0
  O  O25  1  0.843  0.692  0.108  1.0
  O  O26  1  0.964  0.473  0.831  1.0
  O  O27  1  0.841  0.166  0.105  1.0
[/CIF]
.