The material structure described by Li4Cr5MnO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with six equivalent Cr(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(2), and one Mn(1) atom to form OLi2MnCr2 trigonal bipyramids that share corners with two equivalent O(2)Li2Cr3 trigonal bipyramids, corners with three equivalent O(1)Li2MnCr2 trigonal bipyramids,  an edgeedge with one O(2)Li2Cr3 trigonal bipyramid, and edges with four equivalent O(1)Li2MnCr2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 trigonal bipyramids that share corners with two equivalent O(1)Li2MnCr2 trigonal bipyramids, corners with three equivalent O(2)Li2Cr3 trigonal bipyramids,  an edgeedge with one O(1)Li2MnCr2 trigonal bipyramid, and edges with four equivalent O(2)Li2Cr3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cr(3) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Cr(2) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li4MnCr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   5.120
_cell_length_c   10.103
_cell_angle_alpha   89.928
_cell_angle_beta   89.928
_cell_angle_gamma   119.868
_symmetry_Int_Tables_number   1
_cell_volume   229.658
_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  0.848  0.347  0.251  1.0
  Li  Li1  1  0.653  0.152  0.749  1.0
  Li  Li2  1  0.347  0.848  0.251  1.0
  Li  Li3  1  0.152  0.653  0.749  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.835  0.165  0.500  1.0
  Cr  Cr6  1  0.337  0.663  0.000  1.0
  Cr  Cr7  1  0.663  0.337  0.000  1.0
  Cr  Cr8  1  0.165  0.835  0.500  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.994  0.327  0.895  1.0
  O  O11  1  0.673  0.006  0.105  1.0
  O  O12  1  0.836  0.492  0.607  1.0
  O  O13  1  0.492  0.836  0.607  1.0
  O  O14  1  0.508  0.164  0.393  1.0
  O  O15  1  0.831  0.831  0.405  1.0
  O  O16  1  0.164  0.508  0.393  1.0
  O  O17  1  0.327  0.994  0.895  1.0
  O  O18  1  0.679  0.679  0.901  1.0
  O  O19  1  0.006  0.673  0.105  1.0
  O  O20  1  0.321  0.321  0.099  1.0
  O  O21  1  0.169  0.169  0.595  1.0
[/CIF]
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The material structure described by Li4Cr5MnO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with six equivalent Cr(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(2), and one Mn(1) atom to form OLi2MnCr2 trigonal bipyramids that share corners with two equivalent O(2)Li2Cr3 trigonal bipyramids, corners with three equivalent O(1)Li2MnCr2 trigonal bipyramids,  an edgeedge with one O(2)Li2Cr3 trigonal bipyramid, and edges with four equivalent O(1)Li2MnCr2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(3), and two equivalent Cr(1) atoms to form OLi2Cr3 trigonal bipyramids that share corners with two equivalent O(1)Li2MnCr2 trigonal bipyramids, corners with three equivalent O(2)Li2Cr3 trigonal bipyramids,  an edgeedge with one O(1)Li2MnCr2 trigonal bipyramid, and edges with four equivalent O(2)Li2Cr3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cr(3) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Cr(2) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li4MnCr5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   5.120
_cell_length_c   10.103
_cell_angle_alpha   89.928
_cell_angle_beta   89.928
_cell_angle_gamma   119.868
_symmetry_Int_Tables_number   1
_cell_volume   229.658
_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  0.848  0.347  0.251  1.0
  Li  Li1  1  0.653  0.152  0.749  1.0
  Li  Li2  1  0.347  0.848  0.251  1.0
  Li  Li3  1  0.152  0.653  0.749  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.835  0.165  0.500  1.0
  Cr  Cr6  1  0.337  0.663  0.000  1.0
  Cr  Cr7  1  0.663  0.337  0.000  1.0
  Cr  Cr8  1  0.165  0.835  0.500  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.994  0.327  0.895  1.0
  O  O11  1  0.673  0.006  0.105  1.0
  O  O12  1  0.836  0.492  0.607  1.0
  O  O13  1  0.492  0.836  0.607  1.0
  O  O14  1  0.508  0.164  0.393  1.0
  O  O15  1  0.831  0.831  0.405  1.0
  O  O16  1  0.164  0.508  0.393  1.0
  O  O17  1  0.327  0.994  0.895  1.0
  O  O18  1  0.679  0.679  0.901  1.0
  O  O19  1  0.006  0.673  0.105  1.0
  O  O20  1  0.321  0.321  0.099  1.0
  O  O21  1  0.169  0.169  0.595  1.0
[/CIF]
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