The material structure described by Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are three 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(2)O6 octahedra, edges with two equivalent Mn(3)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), two equivalent O(2), and two equivalent O(4) 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(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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. Ga(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GaO6 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 Mn(3)O6 octahedra. There are four 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(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) 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. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Mn3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   6.020
_cell_length_c   10.148
_cell_angle_alpha   90.025
_cell_angle_beta   74.156
_cell_angle_gamma   120.773
_symmetry_Int_Tables_number   1
_cell_volume   292.552
_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  0.884  0.941  0.181  1.0
  Li  Li1  1  0.885  0.445  0.681  1.0
  Li  Li2  1  0.116  0.555  0.319  1.0
  Li  Li3  1  0.116  0.059  0.819  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  1.000  0.000  1.0
  Mn  Mn6  1  0.000  1.000  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.000  1.0
  Ga  Ga10  1  0.500  0.752  0.750  1.0
  Ga  Ga11  1  0.500  0.248  0.250  1.0
  O  O12  1  0.753  0.903  0.389  1.0
  O  O13  1  0.752  0.350  0.889  1.0
  O  O14  1  0.248  0.650  0.111  1.0
  O  O15  1  0.247  0.097  0.611  1.0
  O  O16  1  0.294  0.654  0.612  1.0
  O  O17  1  0.293  0.139  0.112  1.0
  O  O18  1  0.744  0.653  0.615  1.0
  O  O19  1  0.747  0.150  0.115  1.0
  O  O20  1  0.746  0.097  0.615  1.0
  O  O21  1  0.744  0.591  0.115  1.0
  O  O22  1  0.254  0.850  0.886  1.0
  O  O23  1  0.256  0.347  0.385  1.0
  O  O24  1  0.256  0.409  0.885  1.0
  O  O25  1  0.254  0.904  0.385  1.0
  O  O26  1  0.707  0.861  0.888  1.0
  O  O27  1  0.706  0.346  0.388  1.0
[/CIF]
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The material structure described by Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are three 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(2)O6 octahedra, edges with two equivalent Mn(3)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), two equivalent O(2), and two equivalent O(4) 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(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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. Ga(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GaO6 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 Mn(3)O6 octahedra. There are four 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(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) 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. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. is represented by the CIF file [CIF]
data_Li2Mn3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   6.020
_cell_length_c   10.148
_cell_angle_alpha   90.025
_cell_angle_beta   74.156
_cell_angle_gamma   120.773
_symmetry_Int_Tables_number   1
_cell_volume   292.552
_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  0.884  0.941  0.181  1.0
  Li  Li1  1  0.885  0.445  0.681  1.0
  Li  Li2  1  0.116  0.555  0.319  1.0
  Li  Li3  1  0.116  0.059  0.819  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  1.000  0.000  1.0
  Mn  Mn6  1  0.000  1.000  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.000  1.0
  Ga  Ga10  1  0.500  0.752  0.750  1.0
  Ga  Ga11  1  0.500  0.248  0.250  1.0
  O  O12  1  0.753  0.903  0.389  1.0
  O  O13  1  0.752  0.350  0.889  1.0
  O  O14  1  0.248  0.650  0.111  1.0
  O  O15  1  0.247  0.097  0.611  1.0
  O  O16  1  0.294  0.654  0.612  1.0
  O  O17  1  0.293  0.139  0.112  1.0
  O  O18  1  0.744  0.653  0.615  1.0
  O  O19  1  0.747  0.150  0.115  1.0
  O  O20  1  0.746  0.097  0.615  1.0
  O  O21  1  0.744  0.591  0.115  1.0
  O  O22  1  0.254  0.850  0.886  1.0
  O  O23  1  0.256  0.347  0.385  1.0
  O  O24  1  0.256  0.409  0.885  1.0
  O  O25  1  0.254  0.904  0.385  1.0
  O  O26  1  0.707  0.861  0.888  1.0
  O  O27  1  0.706  0.346  0.388  1.0
[/CIF]
.