The material described by K3AlO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third K site, K(3) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with two equivalent K(3)O4 tetrahedra. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent K(3)O4 tetrahedra and  an edgeedge with one Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_K3AlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.500
_cell_length_c   6.500
_cell_angle_alpha   115.155
_cell_angle_beta   96.748
_cell_angle_gamma   96.748
_symmetry_Int_Tables_number   1
_cell_volume   241.001
_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
  K  K0  1  0.647  0.371  0.371  1.0
  K  K1  1  0.353  0.629  0.629  1.0
  K  K2  1  0.500  0.196  0.804  1.0
  K  K3  1  0.500  0.804  0.196  1.0
  K  K4  1  0.000  0.266  0.734  1.0
  K  K5  1  0.000  0.734  0.266  1.0
  Al  Al6  1  0.854  0.838  0.838  1.0
  Al  Al7  1  0.146  0.162  0.162  1.0
  O  O8  1  0.737  0.849  0.587  1.0
  O  O9  1  0.263  0.413  0.151  1.0
  O  O10  1  0.263  0.151  0.413  1.0
  O  O11  1  0.737  0.587  0.849  1.0
  O  O12  1  0.144  0.899  0.899  1.0
  O  O13  1  0.856  0.101  0.101  1.0
[/CIF]
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The material described by K3AlO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the third K site, K(3) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra and edges with two equivalent K(3)O4 tetrahedra. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent K(3)O4 tetrahedra and  an edgeedge with one Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Al(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_K3AlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.500
_cell_length_c   6.500
_cell_angle_alpha   115.155
_cell_angle_beta   96.748
_cell_angle_gamma   96.748
_symmetry_Int_Tables_number   1
_cell_volume   241.001
_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
  K  K0  1  0.647  0.371  0.371  1.0
  K  K1  1  0.353  0.629  0.629  1.0
  K  K2  1  0.500  0.196  0.804  1.0
  K  K3  1  0.500  0.804  0.196  1.0
  K  K4  1  0.000  0.266  0.734  1.0
  K  K5  1  0.000  0.734  0.266  1.0
  Al  Al6  1  0.854  0.838  0.838  1.0
  Al  Al7  1  0.146  0.162  0.162  1.0
  O  O8  1  0.737  0.849  0.587  1.0
  O  O9  1  0.263  0.413  0.151  1.0
  O  O10  1  0.263  0.151  0.413  1.0
  O  O11  1  0.737  0.587  0.849  1.0
  O  O12  1  0.144  0.899  0.899  1.0
  O  O13  1  0.856  0.101  0.101  1.0
[/CIF]
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