The material described by Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal P4_32_12 space group. 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 Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are three 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(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Al(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   8.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.084
_cell_formula_units_Z   4
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  0.912  0.088  0.250  1.0
  Al  Al1  1  0.088  0.912  0.750  1.0
  Al  Al2  1  0.588  0.588  0.500  1.0
  Al  Al3  1  0.412  0.412  0.000  1.0
  Si  Si4  1  0.826  0.388  0.982  1.0
  Si  Si5  1  0.174  0.612  0.481  1.0
  Si  Si6  1  0.888  0.674  0.232  1.0
  Si  Si7  1  0.112  0.326  0.732  1.0
  Si  Si8  1  0.612  0.174  0.518  1.0
  Si  Si9  1  0.388  0.826  0.018  1.0
  Si  Si10  1  0.674  0.888  0.768  1.0
  Si  Si11  1  0.326  0.112  0.269  1.0
  O  O12  1  0.624  0.385  0.945  1.0
  O  O13  1  0.376  0.615  0.445  1.0
  O  O14  1  0.885  0.876  0.195  1.0
  O  O15  1  0.115  0.124  0.695  1.0
  O  O16  1  0.615  0.376  0.555  1.0
  O  O17  1  0.385  0.624  0.055  1.0
  O  O18  1  0.876  0.885  0.805  1.0
  O  O19  1  0.124  0.115  0.305  1.0
  O  O20  1  0.871  0.228  0.094  1.0
  O  O21  1  0.129  0.772  0.594  1.0
  O  O22  1  0.728  0.629  0.344  1.0
  O  O23  1  0.272  0.371  0.844  1.0
  O  O24  1  0.772  0.129  0.406  1.0
  O  O25  1  0.228  0.871  0.906  1.0
  O  O26  1  0.629  0.728  0.656  1.0
  O  O27  1  0.371  0.272  0.156  1.0
  O  O28  1  0.932  0.378  0.815  1.0
  O  O29  1  0.068  0.622  0.315  1.0
  O  O30  1  0.878  0.568  0.065  1.0
  O  O31  1  0.122  0.432  0.565  1.0
  O  O32  1  0.622  0.068  0.685  1.0
  O  O33  1  0.378  0.932  0.185  1.0
  O  O34  1  0.568  0.878  0.935  1.0
  O  O35  1  0.432  0.122  0.435  1.0
[/CIF]
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The material described by Al(SiO3)2 is Low Tridymite-derived structured and crystallizes in the tetragonal P4_32_12 space group. 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 Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are three 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(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(1) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Al(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   8.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.084
_cell_formula_units_Z   4
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  0.912  0.088  0.250  1.0
  Al  Al1  1  0.088  0.912  0.750  1.0
  Al  Al2  1  0.588  0.588  0.500  1.0
  Al  Al3  1  0.412  0.412  0.000  1.0
  Si  Si4  1  0.826  0.388  0.982  1.0
  Si  Si5  1  0.174  0.612  0.481  1.0
  Si  Si6  1  0.888  0.674  0.232  1.0
  Si  Si7  1  0.112  0.326  0.732  1.0
  Si  Si8  1  0.612  0.174  0.518  1.0
  Si  Si9  1  0.388  0.826  0.018  1.0
  Si  Si10  1  0.674  0.888  0.768  1.0
  Si  Si11  1  0.326  0.112  0.269  1.0
  O  O12  1  0.624  0.385  0.945  1.0
  O  O13  1  0.376  0.615  0.445  1.0
  O  O14  1  0.885  0.876  0.195  1.0
  O  O15  1  0.115  0.124  0.695  1.0
  O  O16  1  0.615  0.376  0.555  1.0
  O  O17  1  0.385  0.624  0.055  1.0
  O  O18  1  0.876  0.885  0.805  1.0
  O  O19  1  0.124  0.115  0.305  1.0
  O  O20  1  0.871  0.228  0.094  1.0
  O  O21  1  0.129  0.772  0.594  1.0
  O  O22  1  0.728  0.629  0.344  1.0
  O  O23  1  0.272  0.371  0.844  1.0
  O  O24  1  0.772  0.129  0.406  1.0
  O  O25  1  0.228  0.871  0.906  1.0
  O  O26  1  0.629  0.728  0.656  1.0
  O  O27  1  0.371  0.272  0.156  1.0
  O  O28  1  0.932  0.378  0.815  1.0
  O  O29  1  0.068  0.622  0.315  1.0
  O  O30  1  0.878  0.568  0.065  1.0
  O  O31  1  0.122  0.432  0.565  1.0
  O  O32  1  0.622  0.068  0.685  1.0
  O  O33  1  0.378  0.932  0.185  1.0
  O  O34  1  0.568  0.878  0.935  1.0
  O  O35  1  0.432  0.122  0.435  1.0
[/CIF]
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