The crystal structure described by Li4Mn3Fe3(CuO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cu site, Cu(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Fe(2), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Cu(1) atom to form distorted OLiFe2Cu tetrahedra that share corners with two equivalent O(4)LiMnFe2 tetrahedra, corners with two equivalent O(6)LiMnFeCu tetrahedra, and edges with two equivalent O(6)LiMnFeCu tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form distorted OLiMnFe2 tetrahedra that share corners with two equivalent O(2)LiFe2Cu tetrahedra and corners with four equivalent O(6)LiMnFeCu tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with two equivalent O(12)LiMn2Cu tetrahedra and corners with four equivalent O(9)LiMnFeCu tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Fe(1), and one Cu(1) atom to form distorted OLiMnFeCu tetrahedra that share  a cornercorner with one O(2)LiFe2Cu tetrahedra,  a cornercorner with one O(6)LiMnFeCu tetrahedra, corners with two equivalent O(4)LiMnFe2 tetrahedra,  an edgeedge with one O(2)LiFe2Cu tetrahedra, and  an edgeedge with one O(6)LiMnFeCu tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Cu(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Fe(2), and one Cu(2) atom to form distorted OLiMnFeCu tetrahedra that share  a cornercorner with one O(12)LiMn2Cu tetrahedra,  a cornercorner with one O(9)LiMnFeCu tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra,  an edgeedge with one O(12)LiMn2Cu tetrahedra, and  an edgeedge with one O(9)LiMnFeCu tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Fe(1), and one Cu(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Cu(2) atom to form distorted OLiMn2Cu tetrahedra that share corners with two equivalent O(5)LiMn2Fe tetrahedra, corners with two equivalent O(9)LiMnFeCu tetrahedra, and edges with two equivalent O(9)LiMnFeCu tetrahedra. is represented by the CIF card [CIF]
data_Li4Mn3Fe3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   5.836
_cell_length_c   9.575
_cell_angle_alpha   90.004
_cell_angle_beta   89.312
_cell_angle_gamma   119.772
_symmetry_Int_Tables_number   1
_cell_volume   284.986
_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
  Li  Li0  1  0.339  0.669  0.896  1.0
  Li  Li1  1  0.996  0.998  0.997  1.0
  Li  Li2  1  0.000  0.000  0.495  1.0
  Li  Li3  1  0.670  0.335  0.396  1.0
  Mn  Mn4  1  0.658  0.829  0.214  1.0
  Mn  Mn5  1  0.829  0.660  0.714  1.0
  Mn  Mn6  1  0.829  0.169  0.714  1.0
  Fe  Fe7  1  0.167  0.830  0.213  1.0
  Fe  Fe8  1  0.167  0.337  0.213  1.0
  Fe  Fe9  1  0.336  0.168  0.713  1.0
  Cu  Cu10  1  0.326  0.663  0.488  1.0
  Cu  Cu11  1  0.661  0.331  0.988  1.0
  O  O12  1  0.158  0.834  0.603  1.0
  O  O13  1  0.041  0.521  0.340  1.0
  O  O14  1  0.345  0.672  0.103  1.0
  O  O15  1  0.986  0.993  0.310  1.0
  O  O16  1  0.987  0.993  0.811  1.0
  O  O17  1  0.158  0.324  0.603  1.0
  O  O18  1  0.488  0.962  0.338  1.0
  O  O19  1  0.488  0.526  0.338  1.0
  O  O20  1  0.327  0.163  0.101  1.0
  O  O21  1  0.684  0.842  0.605  1.0
  O  O22  1  0.527  0.488  0.836  1.0
  O  O23  1  0.527  0.039  0.836  1.0
  O  O24  1  0.681  0.340  0.606  1.0
  O  O25  1  0.831  0.673  0.103  1.0
  O  O26  1  0.963  0.482  0.832  1.0
  O  O27  1  0.831  0.158  0.103  1.0
[/CIF]
.
The crystal structure described by Li4Mn3Fe3(CuO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Cu(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cu site, Cu(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Fe(2), and one Cu(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Cu(1) atom to form distorted OLiFe2Cu tetrahedra that share corners with two equivalent O(4)LiMnFe2 tetrahedra, corners with two equivalent O(6)LiMnFeCu tetrahedra, and edges with two equivalent O(6)LiMnFeCu tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form distorted OLiMnFe2 tetrahedra that share corners with two equivalent O(2)LiFe2Cu tetrahedra and corners with four equivalent O(6)LiMnFeCu tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with two equivalent O(12)LiMn2Cu tetrahedra and corners with four equivalent O(9)LiMnFeCu tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Fe(1), and one Cu(1) atom to form distorted OLiMnFeCu tetrahedra that share  a cornercorner with one O(2)LiFe2Cu tetrahedra,  a cornercorner with one O(6)LiMnFeCu tetrahedra, corners with two equivalent O(4)LiMnFe2 tetrahedra,  an edgeedge with one O(2)LiFe2Cu tetrahedra, and  an edgeedge with one O(6)LiMnFeCu tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Cu(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Fe(2), and one Cu(2) atom to form distorted OLiMnFeCu tetrahedra that share  a cornercorner with one O(12)LiMn2Cu tetrahedra,  a cornercorner with one O(9)LiMnFeCu tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra,  an edgeedge with one O(12)LiMn2Cu tetrahedra, and  an edgeedge with one O(9)LiMnFeCu tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Fe(1), and one Cu(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Cu(2) atom to form distorted OLiMn2Cu tetrahedra that share corners with two equivalent O(5)LiMn2Fe tetrahedra, corners with two equivalent O(9)LiMnFeCu tetrahedra, and edges with two equivalent O(9)LiMnFeCu tetrahedra. is represented by the CIF card [CIF]
data_Li4Mn3Fe3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.876
_cell_length_b   5.836
_cell_length_c   9.575
_cell_angle_alpha   90.004
_cell_angle_beta   89.312
_cell_angle_gamma   119.772
_symmetry_Int_Tables_number   1
_cell_volume   284.986
_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
  Li  Li0  1  0.339  0.669  0.896  1.0
  Li  Li1  1  0.996  0.998  0.997  1.0
  Li  Li2  1  0.000  0.000  0.495  1.0
  Li  Li3  1  0.670  0.335  0.396  1.0
  Mn  Mn4  1  0.658  0.829  0.214  1.0
  Mn  Mn5  1  0.829  0.660  0.714  1.0
  Mn  Mn6  1  0.829  0.169  0.714  1.0
  Fe  Fe7  1  0.167  0.830  0.213  1.0
  Fe  Fe8  1  0.167  0.337  0.213  1.0
  Fe  Fe9  1  0.336  0.168  0.713  1.0
  Cu  Cu10  1  0.326  0.663  0.488  1.0
  Cu  Cu11  1  0.661  0.331  0.988  1.0
  O  O12  1  0.158  0.834  0.603  1.0
  O  O13  1  0.041  0.521  0.340  1.0
  O  O14  1  0.345  0.672  0.103  1.0
  O  O15  1  0.986  0.993  0.310  1.0
  O  O16  1  0.987  0.993  0.811  1.0
  O  O17  1  0.158  0.324  0.603  1.0
  O  O18  1  0.488  0.962  0.338  1.0
  O  O19  1  0.488  0.526  0.338  1.0
  O  O20  1  0.327  0.163  0.101  1.0
  O  O21  1  0.684  0.842  0.605  1.0
  O  O22  1  0.527  0.488  0.836  1.0
  O  O23  1  0.527  0.039  0.836  1.0
  O  O24  1  0.681  0.340  0.606  1.0
  O  O25  1  0.831  0.673  0.103  1.0
  O  O26  1  0.963  0.482  0.832  1.0
  O  O27  1  0.831  0.158  0.103  1.0
[/CIF]
.