The compound described by AlSiO3OH crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Si(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. Si(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted SiO6 octahedra that share corners with two equivalent Si(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra,  an edgeedge with one Si(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. H(1) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded to two equivalent Al(1), one Si(1), and one H(1) atom to form edge-sharing OAl2SiH tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Al(1), one Si(1), and one H(1) atom. is represented by the CIF file [CIF]
data_AlSiHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.407
_cell_length_b   7.074
_cell_length_c   9.289
_cell_angle_alpha   50.074
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.074
_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  0.473  0.641  0.564  1.0
  Al  Al1  1  0.027  0.641  0.064  1.0
  Al  Al2  1  0.527  0.359  0.436  1.0
  Al  Al3  1  0.973  0.359  0.936  1.0
  Si  Si4  1  0.477  0.906  0.180  1.0
  Si  Si5  1  0.023  0.906  0.680  1.0
  Si  Si6  1  0.523  0.094  0.820  1.0
  Si  Si7  1  0.977  0.094  0.320  1.0
  H  H8  1  0.966  0.638  0.313  1.0
  H  H9  1  0.534  0.638  0.813  1.0
  H  H10  1  0.034  0.362  0.687  1.0
  H  H11  1  0.466  0.362  0.187  1.0
  O  O12  1  0.296  0.107  0.653  1.0
  O  O13  1  0.204  0.107  0.153  1.0
  O  O14  1  0.704  0.893  0.347  1.0
  O  O15  1  0.796  0.893  0.847  1.0
  O  O16  1  0.309  0.874  0.020  1.0
  O  O17  1  0.191  0.874  0.520  1.0
  O  O18  1  0.691  0.126  0.980  1.0
  O  O19  1  0.809  0.126  0.480  1.0
  O  O20  1  0.305  0.638  0.376  1.0
  O  O21  1  0.195  0.638  0.876  1.0
  O  O22  1  0.695  0.362  0.624  1.0
  O  O23  1  0.805  0.362  0.124  1.0
  O  O24  1  0.297  0.370  0.258  1.0
  O  O25  1  0.203  0.370  0.758  1.0
  O  O26  1  0.703  0.630  0.742  1.0
  O  O27  1  0.797  0.630  0.242  1.0
[/CIF]
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The compound described by AlSiO3OH crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Si(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. Si(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted SiO6 octahedra that share corners with two equivalent Si(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra,  an edgeedge with one Si(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. H(1) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded to two equivalent Al(1), one Si(1), and one H(1) atom to form edge-sharing OAl2SiH tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Al(1), one Si(1), and one H(1) atom. is represented by the CIF file [CIF]
data_AlSiHO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.407
_cell_length_b   7.074
_cell_length_c   9.289
_cell_angle_alpha   50.074
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.074
_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  0.473  0.641  0.564  1.0
  Al  Al1  1  0.027  0.641  0.064  1.0
  Al  Al2  1  0.527  0.359  0.436  1.0
  Al  Al3  1  0.973  0.359  0.936  1.0
  Si  Si4  1  0.477  0.906  0.180  1.0
  Si  Si5  1  0.023  0.906  0.680  1.0
  Si  Si6  1  0.523  0.094  0.820  1.0
  Si  Si7  1  0.977  0.094  0.320  1.0
  H  H8  1  0.966  0.638  0.313  1.0
  H  H9  1  0.534  0.638  0.813  1.0
  H  H10  1  0.034  0.362  0.687  1.0
  H  H11  1  0.466  0.362  0.187  1.0
  O  O12  1  0.296  0.107  0.653  1.0
  O  O13  1  0.204  0.107  0.153  1.0
  O  O14  1  0.704  0.893  0.347  1.0
  O  O15  1  0.796  0.893  0.847  1.0
  O  O16  1  0.309  0.874  0.020  1.0
  O  O17  1  0.191  0.874  0.520  1.0
  O  O18  1  0.691  0.126  0.980  1.0
  O  O19  1  0.809  0.126  0.480  1.0
  O  O20  1  0.305  0.638  0.376  1.0
  O  O21  1  0.195  0.638  0.876  1.0
  O  O22  1  0.695  0.362  0.624  1.0
  O  O23  1  0.805  0.362  0.124  1.0
  O  O24  1  0.297  0.370  0.258  1.0
  O  O25  1  0.203  0.370  0.758  1.0
  O  O26  1  0.703  0.630  0.742  1.0
  O  O27  1  0.797  0.630  0.242  1.0
[/CIF]
.