The compound described by Cs3GaO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Ga(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Cs3GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   8.129
_cell_length_c   11.398
_cell_angle_alpha   83.456
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.035
_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
  Cs  Cs0  1  0.331  0.343  0.069  1.0
  Cs  Cs1  1  0.621  0.960  0.155  1.0
  Cs  Cs2  1  0.825  0.372  0.198  1.0
  Cs  Cs3  1  0.325  0.628  0.302  1.0
  Cs  Cs4  1  0.121  0.040  0.345  1.0
  Cs  Cs5  1  0.831  0.657  0.431  1.0
  Cs  Cs6  1  0.169  0.343  0.569  1.0
  Cs  Cs7  1  0.879  0.960  0.655  1.0
  Cs  Cs8  1  0.675  0.372  0.698  1.0
  Cs  Cs9  1  0.175  0.628  0.802  1.0
  Cs  Cs10  1  0.379  0.040  0.845  1.0
  Cs  Cs11  1  0.669  0.657  0.931  1.0
  Ga  Ga12  1  0.074  0.852  0.062  1.0
  Ga  Ga13  1  0.574  0.148  0.438  1.0
  Ga  Ga14  1  0.426  0.852  0.562  1.0
  Ga  Ga15  1  0.926  0.148  0.938  1.0
  O  O16  1  0.308  0.763  0.038  1.0
  O  O17  1  0.061  0.087  0.084  1.0
  O  O18  1  0.942  0.724  0.178  1.0
  O  O19  1  0.442  0.276  0.322  1.0
  O  O20  1  0.561  0.913  0.416  1.0
  O  O21  1  0.808  0.237  0.462  1.0
  O  O22  1  0.192  0.763  0.538  1.0
  O  O23  1  0.439  0.087  0.584  1.0
  O  O24  1  0.558  0.724  0.678  1.0
  O  O25  1  0.058  0.276  0.822  1.0
  O  O26  1  0.939  0.913  0.916  1.0
  O  O27  1  0.692  0.237  0.962  1.0
[/CIF]
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The compound described by Cs3GaO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Ga(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Ga(1) atom. is represented by the CIF file [CIF]
data_Cs3GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   8.129
_cell_length_c   11.398
_cell_angle_alpha   83.456
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   654.035
_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
  Cs  Cs0  1  0.331  0.343  0.069  1.0
  Cs  Cs1  1  0.621  0.960  0.155  1.0
  Cs  Cs2  1  0.825  0.372  0.198  1.0
  Cs  Cs3  1  0.325  0.628  0.302  1.0
  Cs  Cs4  1  0.121  0.040  0.345  1.0
  Cs  Cs5  1  0.831  0.657  0.431  1.0
  Cs  Cs6  1  0.169  0.343  0.569  1.0
  Cs  Cs7  1  0.879  0.960  0.655  1.0
  Cs  Cs8  1  0.675  0.372  0.698  1.0
  Cs  Cs9  1  0.175  0.628  0.802  1.0
  Cs  Cs10  1  0.379  0.040  0.845  1.0
  Cs  Cs11  1  0.669  0.657  0.931  1.0
  Ga  Ga12  1  0.074  0.852  0.062  1.0
  Ga  Ga13  1  0.574  0.148  0.438  1.0
  Ga  Ga14  1  0.426  0.852  0.562  1.0
  Ga  Ga15  1  0.926  0.148  0.938  1.0
  O  O16  1  0.308  0.763  0.038  1.0
  O  O17  1  0.061  0.087  0.084  1.0
  O  O18  1  0.942  0.724  0.178  1.0
  O  O19  1  0.442  0.276  0.322  1.0
  O  O20  1  0.561  0.913  0.416  1.0
  O  O21  1  0.808  0.237  0.462  1.0
  O  O22  1  0.192  0.763  0.538  1.0
  O  O23  1  0.439  0.087  0.584  1.0
  O  O24  1  0.558  0.724  0.678  1.0
  O  O25  1  0.058  0.276  0.822  1.0
  O  O26  1  0.939  0.913  0.916  1.0
  O  O27  1  0.692  0.237  0.962  1.0
[/CIF]
.