The compound described by Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Ga(1)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   5.904
_cell_length_c   5.904
_cell_angle_alpha   59.050
_cell_angle_beta   61.469
_cell_angle_gamma   61.479
_symmetry_Int_Tables_number   1
_cell_volume   146.755
_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  0.132  0.113  0.113  1.0
  Li  Li1  1  0.868  0.887  0.887  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.291  0.242  0.243  1.0
  O  O7  1  0.711  0.263  0.263  1.0
  O  O8  1  0.268  0.703  0.250  1.0
  O  O9  1  0.268  0.250  0.703  1.0
  O  O10  1  0.732  0.297  0.750  1.0
  O  O11  1  0.732  0.750  0.297  1.0
  O  O12  1  0.289  0.737  0.737  1.0
  O  O13  1  0.709  0.758  0.758  1.0
[/CIF]
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The compound described by Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Ga(1)O6 octahedra, and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   5.904
_cell_length_c   5.904
_cell_angle_alpha   59.050
_cell_angle_beta   61.469
_cell_angle_gamma   61.479
_symmetry_Int_Tables_number   1
_cell_volume   146.755
_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  0.132  0.113  0.113  1.0
  Li  Li1  1  0.868  0.887  0.887  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.291  0.242  0.243  1.0
  O  O7  1  0.711  0.263  0.263  1.0
  O  O8  1  0.268  0.703  0.250  1.0
  O  O9  1  0.268  0.250  0.703  1.0
  O  O10  1  0.732  0.297  0.750  1.0
  O  O11  1  0.732  0.750  0.297  1.0
  O  O12  1  0.289  0.737  0.737  1.0
  O  O13  1  0.709  0.758  0.758  1.0
[/CIF]
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