The crystal structure described by Li3CrMn3O8 crystallizes in the orthorhombic Cmc2_1 space group. There are two 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(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with five equivalent Mn(1)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-47°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. Cr(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two 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(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. There are six inequivalent O sites. In the first O site, O(5) 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(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(5)Li2Mn2Cr square pyramid,  a cornercorner with one O(6)Li2Mn2Cr trigonal bipyramid, corners with six 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(5)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(6)Li2Mn2Cr trigonal bipyramid. In the second O site, O(6) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLi2Mn2Cr trigonal bipyramids that share corners with two equivalent O(5)Li2Mn2Cr square pyramids, corners with five equivalent O(2)Li2Mn2Cr square pyramids, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li2Mn2Cr square pyramids, and edges with two equivalent O(1)Li2Mn2Cr trigonal bipyramids. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with six equivalent O(5)Li2Mn2Cr square pyramids,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(6)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(5)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(6)Li2Mn2Cr trigonal bipyramid. In the fourth O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form OLi2Mn2Cr square pyramids that share corners with two equivalent O(5)Li2Mn2Cr square pyramids, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, corners with five equivalent O(6)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li2Mn2Cr square pyramids, and edges with two equivalent O(1)Li2Mn2Cr trigonal bipyramids. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the sixth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLi3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.688
_cell_length_b   5.688
_cell_length_c   9.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.051
_symmetry_Int_Tables_number   1
_cell_volume   263.645
_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  0.351  0.174  0.446  1.0
  Li  Li1  1  0.826  0.649  0.446  1.0
  Li  Li2  1  0.835  0.165  0.448  1.0
  Li  Li3  1  0.165  0.835  0.948  1.0
  Li  Li4  1  0.174  0.351  0.946  1.0
  Li  Li5  1  0.649  0.826  0.946  1.0
  Mn  Mn6  1  0.339  0.167  0.714  1.0
  Mn  Mn7  1  0.833  0.661  0.714  1.0
  Mn  Mn8  1  0.833  0.167  0.714  1.0
  Mn  Mn9  1  0.167  0.833  0.214  1.0
  Mn  Mn10  1  0.167  0.339  0.214  1.0
  Mn  Mn11  1  0.661  0.833  0.214  1.0
  Cr  Cr12  1  0.665  0.335  0.989  1.0
  Cr  Cr13  1  0.335  0.665  0.489  1.0
  O  O14  1  0.318  0.162  0.094  1.0
  O  O15  1  0.516  0.484  0.840  1.0
  O  O16  1  0.668  0.332  0.601  1.0
  O  O17  1  0.001  0.999  0.824  1.0
  O  O18  1  0.999  0.001  0.324  1.0
  O  O19  1  0.838  0.682  0.094  1.0
  O  O20  1  0.517  0.032  0.842  1.0
  O  O21  1  0.968  0.483  0.842  1.0
  O  O22  1  0.837  0.163  0.096  1.0
  O  O23  1  0.163  0.837  0.596  1.0
  O  O24  1  0.032  0.517  0.342  1.0
  O  O25  1  0.332  0.668  0.101  1.0
  O  O26  1  0.483  0.968  0.342  1.0
  O  O27  1  0.162  0.318  0.594  1.0
  O  O28  1  0.484  0.516  0.340  1.0
  O  O29  1  0.682  0.838  0.594  1.0
[/CIF]
.
The crystal structure described by Li3CrMn3O8 crystallizes in the orthorhombic Cmc2_1 space group. There are two 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(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with five equivalent Mn(1)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-47°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. Cr(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two 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(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with five equivalent Li(1)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(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. There are six inequivalent O sites. In the first O site, O(5) 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(2)Li2Mn2Cr square pyramid,  a cornercorner with one O(5)Li2Mn2Cr square pyramid,  a cornercorner with one O(6)Li2Mn2Cr trigonal bipyramid, corners with six 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(5)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(6)Li2Mn2Cr trigonal bipyramid. In the second O site, O(6) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form distorted OLi2Mn2Cr trigonal bipyramids that share corners with two equivalent O(5)Li2Mn2Cr square pyramids, corners with five equivalent O(2)Li2Mn2Cr square pyramids, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li2Mn2Cr square pyramids, and edges with two equivalent O(1)Li2Mn2Cr trigonal bipyramids. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Mn(1), and one Mn(2) atom to form distorted OLi2Mn2Cr trigonal bipyramids that share  a cornercorner with one O(2)Li2Mn2Cr square pyramid, corners with six equivalent O(5)Li2Mn2Cr square pyramids,  a cornercorner with one O(1)Li2Mn2Cr trigonal bipyramid,  a cornercorner with one O(6)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(5)Li2Mn2Cr square pyramid,  an edgeedge with one O(1)Li2Mn2Cr trigonal bipyramid, and  an edgeedge with one O(6)Li2Mn2Cr trigonal bipyramid. In the fourth O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and two equivalent Mn(1) atoms to form OLi2Mn2Cr square pyramids that share corners with two equivalent O(5)Li2Mn2Cr square pyramids, corners with two equivalent O(1)Li2Mn2Cr trigonal bipyramids, corners with five equivalent O(6)Li2Mn2Cr trigonal bipyramids, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li2Mn2Cr square pyramids, and edges with two equivalent O(1)Li2Mn2Cr trigonal bipyramids. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the sixth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLi3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.688
_cell_length_b   5.688
_cell_length_c   9.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.051
_symmetry_Int_Tables_number   1
_cell_volume   263.645
_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  0.351  0.174  0.446  1.0
  Li  Li1  1  0.826  0.649  0.446  1.0
  Li  Li2  1  0.835  0.165  0.448  1.0
  Li  Li3  1  0.165  0.835  0.948  1.0
  Li  Li4  1  0.174  0.351  0.946  1.0
  Li  Li5  1  0.649  0.826  0.946  1.0
  Mn  Mn6  1  0.339  0.167  0.714  1.0
  Mn  Mn7  1  0.833  0.661  0.714  1.0
  Mn  Mn8  1  0.833  0.167  0.714  1.0
  Mn  Mn9  1  0.167  0.833  0.214  1.0
  Mn  Mn10  1  0.167  0.339  0.214  1.0
  Mn  Mn11  1  0.661  0.833  0.214  1.0
  Cr  Cr12  1  0.665  0.335  0.989  1.0
  Cr  Cr13  1  0.335  0.665  0.489  1.0
  O  O14  1  0.318  0.162  0.094  1.0
  O  O15  1  0.516  0.484  0.840  1.0
  O  O16  1  0.668  0.332  0.601  1.0
  O  O17  1  0.001  0.999  0.824  1.0
  O  O18  1  0.999  0.001  0.324  1.0
  O  O19  1  0.838  0.682  0.094  1.0
  O  O20  1  0.517  0.032  0.842  1.0
  O  O21  1  0.968  0.483  0.842  1.0
  O  O22  1  0.837  0.163  0.096  1.0
  O  O23  1  0.163  0.837  0.596  1.0
  O  O24  1  0.032  0.517  0.342  1.0
  O  O25  1  0.332  0.668  0.101  1.0
  O  O26  1  0.483  0.968  0.342  1.0
  O  O27  1  0.162  0.318  0.594  1.0
  O  O28  1  0.484  0.516  0.340  1.0
  O  O29  1  0.682  0.838  0.594  1.0
[/CIF]
.