The material structure described by AlSi3O8 is low (alpha) Cristobalite-derived structured and crystallizes in the monoclinic P2_1 space group. Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with three equivalent Al(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. is represented by the CIF card [CIF]
data_AlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.904
_cell_length_b   4.973
_cell_length_c   8.728
_cell_angle_alpha   89.820
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.532
_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
  Al  Al0  1  0.672  0.607  0.431  1.0
  Al  Al1  1  0.172  0.393  0.569  1.0
  Si  Si2  1  0.172  0.361  0.942  1.0
  Si  Si3  1  0.672  0.639  0.058  1.0
  Si  Si4  1  0.344  0.853  0.062  1.0
  Si  Si5  1  0.844  0.147  0.938  1.0
  Si  Si6  1  0.348  0.885  0.423  1.0
  Si  Si7  1  0.848  0.115  0.577  1.0
  O  O8  1  0.001  0.248  0.514  1.0
  O  O9  1  0.501  0.752  0.486  1.0
  O  O10  1  0.793  0.884  0.035  1.0
  O  O11  1  0.293  0.116  0.965  1.0
  O  O12  1  0.862  0.055  0.760  1.0
  O  O13  1  0.362  0.945  0.240  1.0
  O  O14  1  0.170  0.452  0.765  1.0
  O  O15  1  0.670  0.548  0.235  1.0
  O  O16  1  0.719  0.385  0.951  1.0
  O  O17  1  0.219  0.615  0.049  1.0
  O  O18  1  0.506  0.742  0.000  1.0
  O  O19  1  0.006  0.258  1.000  1.0
  O  O20  1  0.312  0.165  0.510  1.0
  O  O21  1  0.812  0.835  0.490  1.0
  O  O22  1  0.209  0.679  0.458  1.0
  O  O23  1  0.709  0.321  0.542  1.0
[/CIF]
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The material structure described by AlSi3O8 is low (alpha) Cristobalite-derived structured and crystallizes in the monoclinic P2_1 space group. Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with three equivalent Al(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(1) and one Si(3) atom. is represented by the CIF card [CIF]
data_AlSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.904
_cell_length_b   4.973
_cell_length_c   8.728
_cell_angle_alpha   89.820
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.532
_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
  Al  Al0  1  0.672  0.607  0.431  1.0
  Al  Al1  1  0.172  0.393  0.569  1.0
  Si  Si2  1  0.172  0.361  0.942  1.0
  Si  Si3  1  0.672  0.639  0.058  1.0
  Si  Si4  1  0.344  0.853  0.062  1.0
  Si  Si5  1  0.844  0.147  0.938  1.0
  Si  Si6  1  0.348  0.885  0.423  1.0
  Si  Si7  1  0.848  0.115  0.577  1.0
  O  O8  1  0.001  0.248  0.514  1.0
  O  O9  1  0.501  0.752  0.486  1.0
  O  O10  1  0.793  0.884  0.035  1.0
  O  O11  1  0.293  0.116  0.965  1.0
  O  O12  1  0.862  0.055  0.760  1.0
  O  O13  1  0.362  0.945  0.240  1.0
  O  O14  1  0.170  0.452  0.765  1.0
  O  O15  1  0.670  0.548  0.235  1.0
  O  O16  1  0.719  0.385  0.951  1.0
  O  O17  1  0.219  0.615  0.049  1.0
  O  O18  1  0.506  0.742  0.000  1.0
  O  O19  1  0.006  0.258  1.000  1.0
  O  O20  1  0.312  0.165  0.510  1.0
  O  O21  1  0.812  0.835  0.490  1.0
  O  O22  1  0.209  0.679  0.458  1.0
  O  O23  1  0.709  0.321  0.542  1.0
[/CIF]
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