The structure described by Li4Cr3GaO8 is alpha Po-derived structured and crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ga(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Ga(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent Cr(2), and one Ga(1) atom to form OLi3Cr2Ga octahedra that share corners with two equivalent O(1)Li3Cr2Ga octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, and edges with eight equivalent O(3)Li3Cr2Ga octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Cr(1), and two equivalent Cr(2) atoms to form OLi3Cr3 octahedra that share corners with two equivalent O(2)Li3Cr3 octahedra, corners with four equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, and edges with eight equivalent O(3)Li3Cr2Ga octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(2), and one Ga(1) atom to form OLi3Cr2Ga octahedra that share corners with six equivalent O(3)Li3Cr2Ga octahedra, edges with four equivalent O(1)Li3Cr2Ga octahedra, edges with four equivalent O(3)Li3Cr2Ga octahedra, and edges with four equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Cr3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.163
_cell_length_c   5.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.304
_symmetry_Int_Tables_number   1
_cell_volume   147.610
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.751  1.0
  Cr  Cr2  1  1.000  0.500  0.249  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  1.000  0.000  0.000  1.0
  Li  Li5  1  1.000  1.000  0.500  1.0
  Li  Li6  1  0.500  0.000  0.750  1.0
  Li  Li7  1  0.500  1.000  0.250  1.0
  O  O8  1  0.756  0.274  1.000  1.0
  O  O9  1  0.244  0.726  1.000  1.0
  O  O10  1  0.759  0.274  0.500  1.0
  O  O11  1  0.241  0.726  0.500  1.0
  O  O12  1  0.741  0.726  0.751  1.0
  O  O13  1  0.259  0.274  0.751  1.0
  O  O14  1  0.741  0.726  0.249  1.0
  O  O15  1  0.259  0.274  0.249  1.0
[/CIF]
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The structure described by Li4Cr3GaO8 is alpha Po-derived structured and crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ga(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ga(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. Ga(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent Cr(2), and one Ga(1) atom to form OLi3Cr2Ga octahedra that share corners with two equivalent O(1)Li3Cr2Ga octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, and edges with eight equivalent O(3)Li3Cr2Ga octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Cr(1), and two equivalent Cr(2) atoms to form OLi3Cr3 octahedra that share corners with two equivalent O(2)Li3Cr3 octahedra, corners with four equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(1)Li3Cr2Ga octahedra, edges with two equivalent O(2)Li3Cr3 octahedra, and edges with eight equivalent O(3)Li3Cr2Ga octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(2), and one Ga(1) atom to form OLi3Cr2Ga octahedra that share corners with six equivalent O(3)Li3Cr2Ga octahedra, edges with four equivalent O(1)Li3Cr2Ga octahedra, edges with four equivalent O(3)Li3Cr2Ga octahedra, and edges with four equivalent O(2)Li3Cr3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Cr3GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.163
_cell_length_c   5.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.304
_symmetry_Int_Tables_number   1
_cell_volume   147.610
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.751  1.0
  Cr  Cr2  1  1.000  0.500  0.249  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Li  Li4  1  1.000  0.000  0.000  1.0
  Li  Li5  1  1.000  1.000  0.500  1.0
  Li  Li6  1  0.500  0.000  0.750  1.0
  Li  Li7  1  0.500  1.000  0.250  1.0
  O  O8  1  0.756  0.274  1.000  1.0
  O  O9  1  0.244  0.726  1.000  1.0
  O  O10  1  0.759  0.274  0.500  1.0
  O  O11  1  0.241  0.726  0.500  1.0
  O  O12  1  0.741  0.726  0.751  1.0
  O  O13  1  0.259  0.274  0.751  1.0
  O  O14  1  0.741  0.726  0.249  1.0
  O  O15  1  0.259  0.274  0.249  1.0
[/CIF]
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