The crystal structure described by Cs3AlO3 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 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. 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. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing AlO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Cs3AlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.783
_cell_length_b   7.210
_cell_length_c   7.918
_cell_angle_alpha   65.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.900
_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  0.696  0.869  0.926  1.0
  Cs  Cs1  1  0.348  0.561  0.521  1.0
  Cs  Cs2  1  0.304  0.131  0.074  1.0
  Cs  Cs3  1  0.848  0.939  0.479  1.0
  Cs  Cs4  1  0.196  0.631  0.074  1.0
  Cs  Cs5  1  0.562  0.014  0.274  1.0
  Cs  Cs6  1  0.804  0.369  0.926  1.0
  Cs  Cs7  1  0.652  0.439  0.479  1.0
  Cs  Cs8  1  0.062  0.486  0.726  1.0
  Cs  Cs9  1  0.938  0.514  0.274  1.0
  Cs  Cs10  1  0.438  0.986  0.726  1.0
  Cs  Cs11  1  0.152  0.061  0.521  1.0
  Al  Al12  1  0.455  0.513  0.141  1.0
  Al  Al13  1  0.545  0.487  0.859  1.0
  Al  Al14  1  0.045  0.013  0.141  1.0
  Al  Al15  1  0.955  0.987  0.859  1.0
  O  O16  1  0.901  0.198  0.673  1.0
  O  O17  1  0.411  0.531  0.914  1.0
  O  O18  1  0.089  0.031  0.914  1.0
  O  O19  1  0.063  0.242  0.165  1.0
  O  O20  1  0.099  0.802  0.327  1.0
  O  O21  1  0.401  0.302  0.327  1.0
  O  O22  1  0.599  0.698  0.673  1.0
  O  O23  1  0.911  0.969  0.086  1.0
  O  O24  1  0.563  0.258  0.835  1.0
  O  O25  1  0.437  0.742  0.165  1.0
  O  O26  1  0.589  0.469  0.086  1.0
  O  O27  1  0.937  0.758  0.835  1.0
[/CIF]
.
The crystal structure described by Cs3AlO3 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 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. 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. Al(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form edge-sharing AlO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Cs3AlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.783
_cell_length_b   7.210
_cell_length_c   7.918
_cell_angle_alpha   65.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.900
_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  0.696  0.869  0.926  1.0
  Cs  Cs1  1  0.348  0.561  0.521  1.0
  Cs  Cs2  1  0.304  0.131  0.074  1.0
  Cs  Cs3  1  0.848  0.939  0.479  1.0
  Cs  Cs4  1  0.196  0.631  0.074  1.0
  Cs  Cs5  1  0.562  0.014  0.274  1.0
  Cs  Cs6  1  0.804  0.369  0.926  1.0
  Cs  Cs7  1  0.652  0.439  0.479  1.0
  Cs  Cs8  1  0.062  0.486  0.726  1.0
  Cs  Cs9  1  0.938  0.514  0.274  1.0
  Cs  Cs10  1  0.438  0.986  0.726  1.0
  Cs  Cs11  1  0.152  0.061  0.521  1.0
  Al  Al12  1  0.455  0.513  0.141  1.0
  Al  Al13  1  0.545  0.487  0.859  1.0
  Al  Al14  1  0.045  0.013  0.141  1.0
  Al  Al15  1  0.955  0.987  0.859  1.0
  O  O16  1  0.901  0.198  0.673  1.0
  O  O17  1  0.411  0.531  0.914  1.0
  O  O18  1  0.089  0.031  0.914  1.0
  O  O19  1  0.063  0.242  0.165  1.0
  O  O20  1  0.099  0.802  0.327  1.0
  O  O21  1  0.401  0.302  0.327  1.0
  O  O22  1  0.599  0.698  0.673  1.0
  O  O23  1  0.911  0.969  0.086  1.0
  O  O24  1  0.563  0.258  0.835  1.0
  O  O25  1  0.437  0.742  0.165  1.0
  O  O26  1  0.589  0.469  0.086  1.0
  O  O27  1  0.937  0.758  0.835  1.0
[/CIF]
.