The crystal structure described by KAlSiO4 crystallizes in the trigonal P3 space group. K(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Al(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Si(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_KAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   5.163
_cell_length_c   5.163
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.669
_cell_formula_units_Z   1
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  0.519  1.000  1.000  1.0
  Al  Al1  1  0.054  0.667  0.667  1.0
  Si  Si2  1  0.935  0.333  0.333  1.0
  O  O3  1  0.057  0.614  0.018  1.0
  O  O4  1  0.057  0.018  0.368  1.0
  O  O5  1  0.057  0.368  0.614  1.0
  O  O6  1  0.628  0.333  0.333  1.0
[/CIF]
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The crystal structure described by KAlSiO4 crystallizes in the trigonal P3 space group. K(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Al(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Si(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_KAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   5.163
_cell_length_c   5.163
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.669
_cell_formula_units_Z   1
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  0.519  1.000  1.000  1.0
  Al  Al1  1  0.054  0.667  0.667  1.0
  Si  Si2  1  0.935  0.333  0.333  1.0
  O  O3  1  0.057  0.614  0.018  1.0
  O  O4  1  0.057  0.018  0.368  1.0
  O  O5  1  0.057  0.368  0.614  1.0
  O  O6  1  0.628  0.333  0.333  1.0
[/CIF]
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