The material structure described by Cs3GaO3 crystallizes in the monoclinic C2/m 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(1) and four equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), two equivalent Cs(2), and two equivalent Ga(1) atoms. In the second O site, O(2) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   7.195
_cell_length_c   7.247
_cell_angle_alpha   81.636
_cell_angle_beta   81.636
_cell_angle_gamma   114.976
_symmetry_Int_Tables_number   1
_cell_volume   327.367
_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
  Cs  Cs0  1  0.629  0.629  0.662  1.0
  Cs  Cs1  1  0.799  0.201  0.500  1.0
  Cs  Cs2  1  0.201  0.799  0.500  1.0
  Cs  Cs3  1  0.741  0.259  0.000  1.0
  Cs  Cs4  1  0.259  0.741  0.000  1.0
  Cs  Cs5  1  0.371  0.371  0.338  1.0
  Ga  Ga6  1  0.842  0.842  0.150  1.0
  Ga  Ga7  1  0.158  0.158  0.850  1.0
  O  O8  1  0.903  0.903  0.872  1.0
  O  O9  1  0.600  0.851  0.266  1.0
  O  O10  1  0.851  0.600  0.266  1.0
  O  O11  1  0.149  0.400  0.734  1.0
  O  O12  1  0.400  0.149  0.734  1.0
  O  O13  1  0.097  0.097  0.128  1.0
[/CIF]
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The material structure described by Cs3GaO3 crystallizes in the monoclinic C2/m 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(1) and four equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing GaO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), two equivalent Cs(2), and two equivalent Ga(1) atoms. In the second O site, O(2) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3GaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.195
_cell_length_b   7.195
_cell_length_c   7.247
_cell_angle_alpha   81.636
_cell_angle_beta   81.636
_cell_angle_gamma   114.976
_symmetry_Int_Tables_number   1
_cell_volume   327.367
_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
  Cs  Cs0  1  0.629  0.629  0.662  1.0
  Cs  Cs1  1  0.799  0.201  0.500  1.0
  Cs  Cs2  1  0.201  0.799  0.500  1.0
  Cs  Cs3  1  0.741  0.259  0.000  1.0
  Cs  Cs4  1  0.259  0.741  0.000  1.0
  Cs  Cs5  1  0.371  0.371  0.338  1.0
  Ga  Ga6  1  0.842  0.842  0.150  1.0
  Ga  Ga7  1  0.158  0.158  0.850  1.0
  O  O8  1  0.903  0.903  0.872  1.0
  O  O9  1  0.600  0.851  0.266  1.0
  O  O10  1  0.851  0.600  0.266  1.0
  O  O11  1  0.149  0.400  0.734  1.0
  O  O12  1  0.400  0.149  0.734  1.0
  O  O13  1  0.097  0.097  0.128  1.0
[/CIF]
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