The crystal structure described by LiAlSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. Al(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_LiAlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.130
_cell_length_b   7.337
_cell_length_c   7.605
_cell_angle_alpha   115.874
_cell_angle_beta   110.055
_cell_angle_gamma   97.300
_symmetry_Int_Tables_number   1
_cell_volume   317.749
_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
  Li  Li0  1  0.850  0.722  0.751  1.0
  Li  Li1  1  0.150  0.278  0.249  1.0
  Al  Al2  1  0.800  0.148  0.838  1.0
  Al  Al3  1  0.200  0.852  0.162  1.0
  Si  Si4  1  0.628  0.213  0.450  1.0
  Si  Si5  1  0.372  0.787  0.550  1.0
  Si  Si6  1  0.756  0.817  0.173  1.0
  Si  Si7  1  0.244  0.183  0.827  1.0
  Si  Si8  1  0.709  0.427  0.221  1.0
  Si  Si9  1  0.291  0.573  0.779  1.0
  O  O10  1  0.727  0.431  0.447  1.0
  O  O11  1  0.273  0.569  0.553  1.0
  O  O12  1  0.630  0.877  0.688  1.0
  O  O13  1  0.370  0.123  0.312  1.0
  O  O14  1  0.054  0.128  0.885  1.0
  O  O15  1  0.946  0.872  0.115  1.0
  O  O16  1  0.727  0.033  0.334  1.0
  O  O17  1  0.273  0.967  0.666  1.0
  O  O18  1  0.839  0.287  0.113  1.0
  O  O19  1  0.161  0.713  0.887  1.0
  O  O20  1  0.798  0.677  0.292  1.0
  O  O21  1  0.202  0.323  0.708  1.0
  O  O22  1  0.542  0.677  0.944  1.0
  O  O23  1  0.458  0.323  0.056  1.0
  O  O24  1  0.711  0.285  0.704  1.0
  O  O25  1  0.289  0.715  0.296  1.0
[/CIF]
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The crystal structure described by LiAlSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. Al(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_LiAlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.130
_cell_length_b   7.337
_cell_length_c   7.605
_cell_angle_alpha   115.874
_cell_angle_beta   110.055
_cell_angle_gamma   97.300
_symmetry_Int_Tables_number   1
_cell_volume   317.749
_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
  Li  Li0  1  0.850  0.722  0.751  1.0
  Li  Li1  1  0.150  0.278  0.249  1.0
  Al  Al2  1  0.800  0.148  0.838  1.0
  Al  Al3  1  0.200  0.852  0.162  1.0
  Si  Si4  1  0.628  0.213  0.450  1.0
  Si  Si5  1  0.372  0.787  0.550  1.0
  Si  Si6  1  0.756  0.817  0.173  1.0
  Si  Si7  1  0.244  0.183  0.827  1.0
  Si  Si8  1  0.709  0.427  0.221  1.0
  Si  Si9  1  0.291  0.573  0.779  1.0
  O  O10  1  0.727  0.431  0.447  1.0
  O  O11  1  0.273  0.569  0.553  1.0
  O  O12  1  0.630  0.877  0.688  1.0
  O  O13  1  0.370  0.123  0.312  1.0
  O  O14  1  0.054  0.128  0.885  1.0
  O  O15  1  0.946  0.872  0.115  1.0
  O  O16  1  0.727  0.033  0.334  1.0
  O  O17  1  0.273  0.967  0.666  1.0
  O  O18  1  0.839  0.287  0.113  1.0
  O  O19  1  0.161  0.713  0.887  1.0
  O  O20  1  0.798  0.677  0.292  1.0
  O  O21  1  0.202  0.323  0.708  1.0
  O  O22  1  0.542  0.677  0.944  1.0
  O  O23  1  0.458  0.323  0.056  1.0
  O  O24  1  0.711  0.285  0.704  1.0
  O  O25  1  0.289  0.715  0.296  1.0
[/CIF]
.