data_LiGaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   6.46
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaO2
_chemical_formula_sum   'Li4 Ga4 O8'
_cell_volume   179.81
_cell_formula_units_Z   4
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  0.18  0.65  0.0  1.0
  Li  Li1  1  0.02  0.43  0.55  1.0
  Li  Li2  1  0.45  0.03  0.0  1.0
  Li  Li3  1  0.28  0.8  0.55  1.0
  Ga  Ga4  1  0.18  0.41  0.02  1.0
  Ga  Ga5  1  0.29  0.04  0.57  1.0
  Ga  Ga6  1  0.02  0.64  0.57  1.0
  Ga  Ga7  1  0.44  0.81  0.02  1.0
  O  O8  1  0.38  0.73  0.9  1.0
  O  O9  1  0.11  0.5  0.9  1.0
  O  O10  1  0.09  0.73  0.45  1.0
  O  O11  1  0.36  0.95  0.45  1.0
  O  O12  1  0.23  0.89  0.56  1.0
  O  O13  1  0.24  0.56  0.02  1.0
  O  O14  1  0.51  0.12  0.02  1.0
  O  O15  1  0.96  0.34  0.56  1.0

data_LiGaO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.47
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaO2
_chemical_formula_sum   'Li4 Ga4 O8'
_cell_volume   179.81
_cell_formula_units_Z   4
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  0.0  0.18  0.65  1.0
  Li  Li1  1  0.0  0.45  0.03  1.0
  Li  Li2  1  0.55  0.02  0.43  1.0
  Li  Li3  1  0.55  0.28  0.8  1.0
  Ga  Ga4  1  0.02  0.18  0.41  1.0
  Ga  Ga5  1  0.02  0.44  0.81  1.0
  Ga  Ga6  1  0.57  0.02  0.64  1.0
  Ga  Ga7  1  0.57  0.29  0.04  1.0
  O  O8  1  0.02  0.24  0.56  1.0
  O  O9  1  0.02  0.51  0.12  1.0
  O  O10  1  0.45  0.09  0.73  1.0
  O  O11  1  0.45  0.36  0.95  1.0
  O  O12  1  0.56  0.23  0.89  1.0
  O  O13  1  0.56  0.96  0.34  1.0
  O  O14  1  0.9  0.11  0.5  1.0
  O  O15  1  0.9  0.38  0.73  1.0

Li Li Li Li Ga Ga Ga Ga O O O O O O O O
LiGaO2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiGaO2 cluster. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one O(1), one O(2), and one O(6) atom. The Li(1)-O(1) bond length is 1.27 Å. The Li(1)-O(2) bond length is 1.18 Å. The Li(1)-O(6) bond length is 0.66 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. The Li(2)-O(2) bond length is 1.92 Å. The Li(2)-O(8) bond length is 0.66 Å. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one Ga(4) and one O(7) atom. The Li(3)-Ga(4) bond length is 1.41 Å. The Li(3)-O(7) bond length is 0.66 Å. In the fourth Li site, Li(4) is bonded in a single-bond geometry to one O(3), one O(4), and one O(5) atom. The Li(4)-O(3) bond length is 1.27 Å. The Li(4)-O(4) bond length is 1.18 Å. The Li(4)-O(5) bond length is 0.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one O(2) and one O(6) atom. The Ga(1)-O(2) bond length is 0.93 Å. The Ga(1)-O(6) bond length is 1.03 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one O(4) and one O(5) atom. The Ga(2)-O(4) bond length is 0.93 Å. The Ga(2)-O(5) bond length is 1.03 Å. In the third Ga site, Ga(3) is bonded in a 1-coordinate geometry to one O(2) and one O(3) atom. The Ga(3)-O(2) bond length is 1.96 Å. The Ga(3)-O(3) bond length is 0.93 Å. In the fourth Ga site, Ga(4) is bonded in a 2-coordinate geometry to one Li(3) and one O(1) atom. The Ga(4)-O(1) bond length is 0.93 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(1) and one Ga(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Ga(1), one Ga(3), and one O(6) atom. The O(2)-O(6) bond length is 1.02 Å. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(4) and one Ga(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(4) and one Ga(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Li(4) and one Ga(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Li(1), one Ga(1), and one O(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(2) atom.