The crystal structure described by LiAlSiO4 crystallizes in the hexagonal P6_422 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   11.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.680
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.667  1.0
  Li  Li2  1  0.000  0.000  0.333  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.000  0.500  0.833  1.0
  Al  Al5  1  0.500  0.500  0.167  1.0
  Si  Si6  1  0.500  0.500  0.667  1.0
  Si  Si7  1  0.000  0.500  0.333  1.0
  Si  Si8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.400  0.206  0.589  1.0
  O  O10  1  0.206  0.806  0.922  1.0
  O  O11  1  0.194  0.400  0.255  1.0
  O  O12  1  0.600  0.794  0.589  1.0
  O  O13  1  0.806  0.206  0.411  1.0
  O  O14  1  0.794  0.600  0.745  1.0
  O  O15  1  0.206  0.400  0.745  1.0
  O  O16  1  0.600  0.806  0.078  1.0
  O  O17  1  0.400  0.194  0.078  1.0
  O  O18  1  0.806  0.600  0.255  1.0
  O  O19  1  0.194  0.794  0.411  1.0
  O  O20  1  0.794  0.194  0.922  1.0
[/CIF]
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The crystal structure described by LiAlSiO4 crystallizes in the hexagonal P6_422 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiAlSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   11.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.680
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.667  1.0
  Li  Li2  1  0.000  0.000  0.333  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.000  0.500  0.833  1.0
  Al  Al5  1  0.500  0.500  0.167  1.0
  Si  Si6  1  0.500  0.500  0.667  1.0
  Si  Si7  1  0.000  0.500  0.333  1.0
  Si  Si8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.400  0.206  0.589  1.0
  O  O10  1  0.206  0.806  0.922  1.0
  O  O11  1  0.194  0.400  0.255  1.0
  O  O12  1  0.600  0.794  0.589  1.0
  O  O13  1  0.806  0.206  0.411  1.0
  O  O14  1  0.794  0.600  0.745  1.0
  O  O15  1  0.206  0.400  0.745  1.0
  O  O16  1  0.600  0.806  0.078  1.0
  O  O17  1  0.400  0.194  0.078  1.0
  O  O18  1  0.806  0.600  0.255  1.0
  O  O19  1  0.194  0.794  0.411  1.0
  O  O20  1  0.794  0.194  0.922  1.0
[/CIF]
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