The material described by LiAlSiH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. Al(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with three equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with three equivalent Al(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one H(1) 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 distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlSiH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   8.447
_cell_length_c   11.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.728
_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
  Li  Li0  1  0.101  0.708  0.620  1.0
  Li  Li1  1  0.601  0.208  0.880  1.0
  Li  Li2  1  0.601  0.292  0.380  1.0
  Li  Li3  1  0.101  0.792  0.120  1.0
  Al  Al4  1  0.730  0.645  0.353  1.0
  Al  Al5  1  0.230  0.145  0.147  1.0
  Al  Al6  1  0.730  0.855  0.853  1.0
  Al  Al7  1  0.230  0.355  0.647  1.0
  Si  Si8  1  0.199  0.469  0.271  1.0
  Si  Si9  1  0.699  0.969  0.229  1.0
  Si  Si10  1  0.699  0.531  0.729  1.0
  Si  Si11  1  0.199  0.031  0.771  1.0
  H  H12  1  0.004  0.981  0.599  1.0
  H  H13  1  0.504  0.481  0.901  1.0
  H  H14  1  0.504  0.019  0.401  1.0
  H  H15  1  0.307  0.155  0.524  1.0
  H  H16  1  0.807  0.845  0.476  1.0
  H  H17  1  0.807  0.655  0.976  1.0
  H  H18  1  0.004  0.519  0.099  1.0
  H  H19  1  0.307  0.345  0.024  1.0
  O  O20  1  0.402  0.534  0.673  1.0
  O  O21  1  0.902  0.034  0.827  1.0
  O  O22  1  0.331  0.232  0.013  1.0
  O  O23  1  0.172  0.950  0.634  1.0
  O  O24  1  0.900  0.082  0.157  1.0
  O  O25  1  0.900  0.418  0.657  1.0
  O  O26  1  0.813  0.710  0.746  1.0
  O  O27  1  0.813  0.790  0.246  1.0
  O  O28  1  0.400  0.582  0.343  1.0
  O  O29  1  0.400  0.918  0.843  1.0
  O  O30  1  0.831  0.768  0.987  1.0
  O  O31  1  0.331  0.268  0.513  1.0
  O  O32  1  0.831  0.732  0.487  1.0
  O  O33  1  0.313  0.210  0.754  1.0
  O  O34  1  0.902  0.466  0.327  1.0
  O  O35  1  0.172  0.550  0.134  1.0
  O  O36  1  0.672  0.050  0.366  1.0
  O  O37  1  0.313  0.290  0.254  1.0
  O  O38  1  0.402  0.966  0.173  1.0
  O  O39  1  0.672  0.450  0.866  1.0
[/CIF]
.
The material described by LiAlSiH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. Al(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with three equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with three equivalent Al(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one H(1) 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 distorted trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlSiH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   8.447
_cell_length_c   11.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.728
_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
  Li  Li0  1  0.101  0.708  0.620  1.0
  Li  Li1  1  0.601  0.208  0.880  1.0
  Li  Li2  1  0.601  0.292  0.380  1.0
  Li  Li3  1  0.101  0.792  0.120  1.0
  Al  Al4  1  0.730  0.645  0.353  1.0
  Al  Al5  1  0.230  0.145  0.147  1.0
  Al  Al6  1  0.730  0.855  0.853  1.0
  Al  Al7  1  0.230  0.355  0.647  1.0
  Si  Si8  1  0.199  0.469  0.271  1.0
  Si  Si9  1  0.699  0.969  0.229  1.0
  Si  Si10  1  0.699  0.531  0.729  1.0
  Si  Si11  1  0.199  0.031  0.771  1.0
  H  H12  1  0.004  0.981  0.599  1.0
  H  H13  1  0.504  0.481  0.901  1.0
  H  H14  1  0.504  0.019  0.401  1.0
  H  H15  1  0.307  0.155  0.524  1.0
  H  H16  1  0.807  0.845  0.476  1.0
  H  H17  1  0.807  0.655  0.976  1.0
  H  H18  1  0.004  0.519  0.099  1.0
  H  H19  1  0.307  0.345  0.024  1.0
  O  O20  1  0.402  0.534  0.673  1.0
  O  O21  1  0.902  0.034  0.827  1.0
  O  O22  1  0.331  0.232  0.013  1.0
  O  O23  1  0.172  0.950  0.634  1.0
  O  O24  1  0.900  0.082  0.157  1.0
  O  O25  1  0.900  0.418  0.657  1.0
  O  O26  1  0.813  0.710  0.746  1.0
  O  O27  1  0.813  0.790  0.246  1.0
  O  O28  1  0.400  0.582  0.343  1.0
  O  O29  1  0.400  0.918  0.843  1.0
  O  O30  1  0.831  0.768  0.987  1.0
  O  O31  1  0.331  0.268  0.513  1.0
  O  O32  1  0.831  0.732  0.487  1.0
  O  O33  1  0.313  0.210  0.754  1.0
  O  O34  1  0.902  0.466  0.327  1.0
  O  O35  1  0.172  0.550  0.134  1.0
  O  O36  1  0.672  0.050  0.366  1.0
  O  O37  1  0.313  0.290  0.254  1.0
  O  O38  1  0.402  0.966  0.173  1.0
  O  O39  1  0.672  0.450  0.866  1.0
[/CIF]
.