The material structure described by Li3CrMn3O8 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the third Li site, Li(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 distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. Cr(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 CrO6 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,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. 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 Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. 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 Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. 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 distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-55°. There are eight inequivalent O sites. In the first O site, O(5) is bonded to one Li(2), one Li(3), one Cr(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with two equivalent O(7)Li2Mn2Cr square pyramids, corners with four equivalent O(6)Li2Mn2Cr square pyramids,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid, and  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid. In the second O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), one Mn(1), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(7)Li2Mn2Cr square pyramid, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, corners with four equivalent O(5)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid, and  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid. In the third O site, O(7) is bonded to one Li(1), one Li(3), one Cr(1), one Mn(2), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(6)Li2Mn2Cr square pyramid, corners with two equivalent O(5)Li2Mn2Cr trigonal bipyramids, corners with four equivalent O(1)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(6)Li2Mn2Cr square pyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the fourth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(1) is bonded to one Li(1), one Li(3), one Cr(1), one Mn(1), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with four equivalent O(7)Li2Mn2Cr square pyramids,  a cornercorner with one O(5)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(6)Li2Mn2Cr square pyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the sixth O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(6)Li2Mn2Cr square pyramid,  a cornercorner with one O(7)Li2Mn2Cr square pyramid,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(5)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the seventh O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form edge-sharing OLi3Mn3 octahedra. is represented by the CIF file [CIF]
data_Li3Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   9.509
_cell_angle_alpha   89.564
_cell_angle_beta   89.564
_cell_angle_gamma   118.831
_symmetry_Int_Tables_number   1
_cell_volume   286.089
_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  0.825  0.647  0.445  1.0
  Li  Li1  1  0.347  0.165  0.442  1.0
  Li  Li2  1  0.836  0.173  0.443  1.0
  Li  Li3  1  0.173  0.836  0.943  1.0
  Li  Li4  1  0.647  0.825  0.945  1.0
  Li  Li5  1  0.165  0.347  0.942  1.0
  Mn  Mn6  1  0.834  0.661  0.715  1.0
  Mn  Mn7  1  0.341  0.166  0.714  1.0
  Mn  Mn8  1  0.837  0.165  0.711  1.0
  Mn  Mn9  1  0.165  0.837  0.211  1.0
  Mn  Mn10  1  0.661  0.834  0.215  1.0
  Mn  Mn11  1  0.166  0.341  0.214  1.0
  Cr  Cr12  1  0.658  0.337  0.990  1.0
  Cr  Cr13  1  0.337  0.658  0.490  1.0
  O  O14  1  0.810  0.677  0.092  1.0
  O  O15  1  0.515  0.485  0.837  1.0
  O  O16  1  0.705  0.351  0.598  1.0
  O  O17  1  0.971  0.980  0.825  1.0
  O  O18  1  0.980  0.971  0.325  1.0
  O  O19  1  0.308  0.164  0.092  1.0
  O  O20  1  0.966  0.501  0.852  1.0
  O  O21  1  0.520  0.042  0.842  1.0
  O  O22  1  0.833  0.163  0.103  1.0
  O  O23  1  0.163  0.833  0.603  1.0
  O  O24  1  0.501  0.966  0.352  1.0
  O  O25  1  0.351  0.705  0.098  1.0
  O  O26  1  0.042  0.520  0.342  1.0
  O  O27  1  0.677  0.810  0.592  1.0
  O  O28  1  0.485  0.515  0.337  1.0
  O  O29  1  0.164  0.308  0.592  1.0
[/CIF]
.
The material structure described by Li3CrMn3O8 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the third Li site, Li(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 distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. Cr(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 CrO6 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,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. 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 Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-52°. 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 Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. 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 distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-55°. There are eight inequivalent O sites. In the first O site, O(5) is bonded to one Li(2), one Li(3), one Cr(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with two equivalent O(7)Li2Mn2Cr square pyramids, corners with four equivalent O(6)Li2Mn2Cr square pyramids,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid, and  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid. In the second O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), one Mn(1), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(7)Li2Mn2Cr square pyramid, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, corners with four equivalent O(5)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid, and  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid. In the third O site, O(7) is bonded to one Li(1), one Li(3), one Cr(1), one Mn(2), and one Mn(3) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(6)Li2Mn2Cr square pyramid, corners with two equivalent O(5)Li2Mn2Cr trigonal bipyramids, corners with four equivalent O(1)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(6)Li2Mn2Cr square pyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the fourth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(1) is bonded to one Li(1), one Li(3), one Cr(1), one Mn(1), and one Mn(3) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with two equivalent O(6)Li2Mn2Cr square pyramids, corners with four equivalent O(7)Li2Mn2Cr square pyramids,  a cornercorner with one O(5)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn2Cr square pyramid,  an edgeedge with one O(6)Li2Mn2Cr square pyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the sixth O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom to form OLi2Mn2Cr square pyramids that share  a cornercorner with one O(6)Li2Mn2Cr square pyramid,  a cornercorner with one O(7)Li2Mn2Cr square pyramid,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(5)Li2Mn2Cr trigonal bipyramid, edges with two equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(6)Li2Mn2Cr square pyramid,  an edgeedge with one O(7)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(5)Li2Mn2Cr trigonal bipyramid. In the seventh O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form edge-sharing OLi3Mn3 octahedra. is represented by the CIF file [CIF]
data_Li3Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.861
_cell_length_c   9.509
_cell_angle_alpha   89.564
_cell_angle_beta   89.564
_cell_angle_gamma   118.831
_symmetry_Int_Tables_number   1
_cell_volume   286.089
_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  0.825  0.647  0.445  1.0
  Li  Li1  1  0.347  0.165  0.442  1.0
  Li  Li2  1  0.836  0.173  0.443  1.0
  Li  Li3  1  0.173  0.836  0.943  1.0
  Li  Li4  1  0.647  0.825  0.945  1.0
  Li  Li5  1  0.165  0.347  0.942  1.0
  Mn  Mn6  1  0.834  0.661  0.715  1.0
  Mn  Mn7  1  0.341  0.166  0.714  1.0
  Mn  Mn8  1  0.837  0.165  0.711  1.0
  Mn  Mn9  1  0.165  0.837  0.211  1.0
  Mn  Mn10  1  0.661  0.834  0.215  1.0
  Mn  Mn11  1  0.166  0.341  0.214  1.0
  Cr  Cr12  1  0.658  0.337  0.990  1.0
  Cr  Cr13  1  0.337  0.658  0.490  1.0
  O  O14  1  0.810  0.677  0.092  1.0
  O  O15  1  0.515  0.485  0.837  1.0
  O  O16  1  0.705  0.351  0.598  1.0
  O  O17  1  0.971  0.980  0.825  1.0
  O  O18  1  0.980  0.971  0.325  1.0
  O  O19  1  0.308  0.164  0.092  1.0
  O  O20  1  0.966  0.501  0.852  1.0
  O  O21  1  0.520  0.042  0.842  1.0
  O  O22  1  0.833  0.163  0.103  1.0
  O  O23  1  0.163  0.833  0.603  1.0
  O  O24  1  0.501  0.966  0.352  1.0
  O  O25  1  0.351  0.705  0.098  1.0
  O  O26  1  0.042  0.520  0.342  1.0
  O  O27  1  0.677  0.810  0.592  1.0
  O  O28  1  0.485  0.515  0.337  1.0
  O  O29  1  0.164  0.308  0.592  1.0
[/CIF]
.