The material described by Li2Mn3CoO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share corners with three equivalent O(1)LiMn3 trigonal pyramids, corners with nine equivalent O(2)LiMn2Co trigonal pyramids, and edges with three equivalent O(2)LiMn2Co trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one Co(1) atom to form distorted OLiMn2Co trigonal pyramids that share corners with three equivalent O(1)LiMn3 trigonal pyramids, corners with nine equivalent O(2)LiMn2Co trigonal pyramids,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and edges with two equivalent O(2)LiMn2Co trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.801
_cell_length_c   5.801
_cell_angle_alpha   61.484
_cell_angle_beta   61.480
_cell_angle_gamma   61.483
_symmetry_Int_Tables_number   1
_cell_volume   142.613
_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  0.123  0.123  0.123  1.0
  Li  Li1  1  0.877  0.877  0.877  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.500  1.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.260  0.260  0.260  1.0
  O  O7  1  0.740  0.740  0.740  1.0
  O  O8  1  0.265  0.265  0.707  1.0
  O  O9  1  0.707  0.265  0.265  1.0
  O  O10  1  0.265  0.707  0.265  1.0
  O  O11  1  0.735  0.293  0.735  1.0
  O  O12  1  0.293  0.735  0.735  1.0
  O  O13  1  0.735  0.735  0.293  1.0
[/CIF]
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The material described by Li2Mn3CoO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share corners with three equivalent O(1)LiMn3 trigonal pyramids, corners with nine equivalent O(2)LiMn2Co trigonal pyramids, and edges with three equivalent O(2)LiMn2Co trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one Co(1) atom to form distorted OLiMn2Co trigonal pyramids that share corners with three equivalent O(1)LiMn3 trigonal pyramids, corners with nine equivalent O(2)LiMn2Co trigonal pyramids,  an edgeedge with one O(1)LiMn3 trigonal pyramid, and edges with two equivalent O(2)LiMn2Co trigonal pyramids. is represented by the CIF card [CIF]
data_Li2Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.801
_cell_length_c   5.801
_cell_angle_alpha   61.484
_cell_angle_beta   61.480
_cell_angle_gamma   61.483
_symmetry_Int_Tables_number   1
_cell_volume   142.613
_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  0.123  0.123  0.123  1.0
  Li  Li1  1  0.877  0.877  0.877  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.500  1.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.260  0.260  0.260  1.0
  O  O7  1  0.740  0.740  0.740  1.0
  O  O8  1  0.265  0.265  0.707  1.0
  O  O9  1  0.707  0.265  0.265  1.0
  O  O10  1  0.265  0.707  0.265  1.0
  O  O11  1  0.735  0.293  0.735  1.0
  O  O12  1  0.293  0.735  0.735  1.0
  O  O13  1  0.735  0.735  0.293  1.0
[/CIF]
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