The crystal structure described by KAlSi3O8 crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Al(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with two equivalent Si(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form SiO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with two equivalent Si(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Si site, Si(2) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form SiO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Si(2)O6 octahedra, and edges with two equivalent Si(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Si site, Si(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(7) atoms to form SiO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Si(2)O6 octahedra, and edges with two equivalent Si(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Si(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(2) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent K(1), one Al(1), and two equivalent Si(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Al(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent K(1), one Si(2), and two equivalent Si(3) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent K(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_KAlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   9.415
_cell_angle_alpha   47.024
_cell_angle_beta   47.024
_cell_angle_gamma   23.457
_symmetry_Int_Tables_number   1
_cell_volume   123.293
_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  0.500  0.500  0.999  1.0
  Al  Al1  1  0.350  0.350  0.815  1.0
  Si  Si2  1  0.653  0.653  0.179  1.0
  Si  Si3  1  0.167  0.167  0.483  1.0
  Si  Si4  1  0.837  0.837  0.515  1.0
  O  O5  1  0.550  0.550  0.615  1.0
  O  O6  1  0.459  0.459  0.378  1.0
  O  O7  1  0.162  0.162  0.299  1.0
  O  O8  1  0.834  0.834  0.699  1.0
  O  O9  1  0.143  0.143  0.066  1.0
  O  O10  1  0.838  0.838  0.965  1.0
  O  O11  1  0.209  0.209  0.632  1.0
  O  O12  1  0.798  0.798  0.357  1.0
[/CIF]
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The crystal structure described by KAlSi3O8 crystallizes in the monoclinic Cm space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Al(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with two equivalent Si(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form SiO6 octahedra that share corners with two equivalent Si(2)O6 octahedra, corners with two equivalent Si(3)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Si site, Si(2) is bonded to one O(3), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form SiO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Si(2)O6 octahedra, and edges with two equivalent Si(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third Si site, Si(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(7) atoms to form SiO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Si(2)O6 octahedra, and edges with two equivalent Si(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Si(1) and two equivalent Si(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Si(2) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent K(1), one Al(1), and two equivalent Si(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Al(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent K(1), one Si(2), and two equivalent Si(3) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent K(1), one Si(3), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_KAlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   9.415
_cell_angle_alpha   47.024
_cell_angle_beta   47.024
_cell_angle_gamma   23.457
_symmetry_Int_Tables_number   1
_cell_volume   123.293
_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  0.500  0.500  0.999  1.0
  Al  Al1  1  0.350  0.350  0.815  1.0
  Si  Si2  1  0.653  0.653  0.179  1.0
  Si  Si3  1  0.167  0.167  0.483  1.0
  Si  Si4  1  0.837  0.837  0.515  1.0
  O  O5  1  0.550  0.550  0.615  1.0
  O  O6  1  0.459  0.459  0.378  1.0
  O  O7  1  0.162  0.162  0.299  1.0
  O  O8  1  0.834  0.834  0.699  1.0
  O  O9  1  0.143  0.143  0.066  1.0
  O  O10  1  0.838  0.838  0.965  1.0
  O  O11  1  0.209  0.209  0.632  1.0
  O  O12  1  0.798  0.798  0.357  1.0
[/CIF]
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