The material structure described by Cs9AlO4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to eight equivalent Cs(3) atoms. In the third Cs site, Cs(3) is bonded in a 2-coordinate geometry to two equivalent Cs(2) and two equivalent O(1) atoms. In the fourth Cs site, Cs(4) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs9AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.717
_cell_length_b   12.717
_cell_length_c   12.717
_cell_angle_alpha   103.841
_cell_angle_beta   103.841
_cell_angle_gamma   121.435
_symmetry_Int_Tables_number   1
_cell_volume   1530.649
_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  0.580  0.080  0.661  1.0
  Cs  Cs1  1  0.420  0.920  0.339  1.0
  Cs  Cs2  1  0.080  0.420  0.500  1.0
  Cs  Cs3  1  0.920  0.580  0.500  1.0
  Cs  Cs4  1  0.000  1.000  0.000  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Cs  Cs6  1  0.527  0.250  0.277  1.0
  Cs  Cs7  1  0.973  0.250  0.723  1.0
  Cs  Cs8  1  0.250  0.973  0.723  1.0
  Cs  Cs9  1  0.250  0.527  0.277  1.0
  Cs  Cs10  1  0.473  0.750  0.723  1.0
  Cs  Cs11  1  0.027  0.750  0.277  1.0
  Cs  Cs12  1  0.750  0.027  0.277  1.0
  Cs  Cs13  1  0.750  0.473  0.723  1.0
  Cs  Cs14  1  0.160  0.660  0.819  1.0
  Cs  Cs15  1  0.840  0.340  0.181  1.0
  Cs  Cs16  1  0.660  0.840  0.500  1.0
  Cs  Cs17  1  0.340  0.160  0.500  1.0
  Al  Al18  1  0.250  0.750  0.500  1.0
  Al  Al19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.230  0.730  0.631  1.0
  O  O21  1  0.099  0.599  0.369  1.0
  O  O22  1  0.401  0.770  0.500  1.0
  O  O23  1  0.270  0.901  0.500  1.0
  O  O24  1  0.770  0.270  0.369  1.0
  O  O25  1  0.901  0.401  0.631  1.0
  O  O26  1  0.730  0.099  0.500  1.0
  O  O27  1  0.599  0.230  0.500  1.0
[/CIF]
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The material structure described by Cs9AlO4 crystallizes in the tetragonal I4/mcm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a body-centered cubic geometry to eight equivalent Cs(3) atoms. In the third Cs site, Cs(3) is bonded in a 2-coordinate geometry to two equivalent Cs(2) and two equivalent O(1) atoms. In the fourth Cs site, Cs(4) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one Al(1) atom. is represented by the CIF card [CIF]
data_Cs9AlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.717
_cell_length_b   12.717
_cell_length_c   12.717
_cell_angle_alpha   103.841
_cell_angle_beta   103.841
_cell_angle_gamma   121.435
_symmetry_Int_Tables_number   1
_cell_volume   1530.649
_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  0.580  0.080  0.661  1.0
  Cs  Cs1  1  0.420  0.920  0.339  1.0
  Cs  Cs2  1  0.080  0.420  0.500  1.0
  Cs  Cs3  1  0.920  0.580  0.500  1.0
  Cs  Cs4  1  0.000  1.000  0.000  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Cs  Cs6  1  0.527  0.250  0.277  1.0
  Cs  Cs7  1  0.973  0.250  0.723  1.0
  Cs  Cs8  1  0.250  0.973  0.723  1.0
  Cs  Cs9  1  0.250  0.527  0.277  1.0
  Cs  Cs10  1  0.473  0.750  0.723  1.0
  Cs  Cs11  1  0.027  0.750  0.277  1.0
  Cs  Cs12  1  0.750  0.027  0.277  1.0
  Cs  Cs13  1  0.750  0.473  0.723  1.0
  Cs  Cs14  1  0.160  0.660  0.819  1.0
  Cs  Cs15  1  0.840  0.340  0.181  1.0
  Cs  Cs16  1  0.660  0.840  0.500  1.0
  Cs  Cs17  1  0.340  0.160  0.500  1.0
  Al  Al18  1  0.250  0.750  0.500  1.0
  Al  Al19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.230  0.730  0.631  1.0
  O  O21  1  0.099  0.599  0.369  1.0
  O  O22  1  0.401  0.770  0.500  1.0
  O  O23  1  0.270  0.901  0.500  1.0
  O  O24  1  0.770  0.270  0.369  1.0
  O  O25  1  0.901  0.401  0.631  1.0
  O  O26  1  0.730  0.099  0.500  1.0
  O  O27  1  0.599  0.230  0.500  1.0
[/CIF]
.