The material structure described by NaAl3Si3(HO6)2 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one H(2) atom. is represented by the CIF file [CIF]
data_NaAl3Si3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   5.189
_cell_length_c   19.632
_cell_angle_alpha   92.409
_cell_angle_beta   85.172
_cell_angle_gamma   119.955
_symmetry_Int_Tables_number   1
_cell_volume   455.735
_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
  Na  Na0  1  0.078  0.185  0.265  1.0
  Na  Na1  1  0.893  0.815  0.765  1.0
  Al  Al2  1  0.334  0.166  0.498  1.0
  Al  Al3  1  0.829  0.161  0.997  1.0
  Al  Al4  1  0.667  0.839  0.497  1.0
  Al  Al5  1  0.168  0.834  0.998  1.0
  Al  Al6  1  0.380  0.854  0.359  1.0
  Al  Al7  1  0.526  0.146  0.859  1.0
  Si  Si8  1  0.479  0.859  0.139  1.0
  Si  Si9  1  0.620  0.141  0.639  1.0
  Si  Si10  1  0.696  0.512  0.358  1.0
  Si  Si11  1  0.823  0.517  0.139  1.0
  Si  Si12  1  0.306  0.483  0.639  1.0
  Si  Si13  1  0.184  0.488  0.858  1.0
  H  H14  1  0.024  0.292  0.426  1.0
  H  H15  1  0.273  0.297  0.065  1.0
  H  H16  1  0.977  0.703  0.565  1.0
  H  H17  1  0.732  0.708  0.926  1.0
  O  O18  1  0.451  0.194  0.326  1.0
  O  O19  1  0.698  0.186  0.173  1.0
  O  O20  1  0.512  0.814  0.673  1.0
  O  O21  1  0.257  0.806  0.826  1.0
  O  O22  1  0.030  0.555  0.339  1.0
  O  O23  1  0.575  0.619  0.162  1.0
  O  O24  1  0.956  0.381  0.662  1.0
  O  O25  1  0.475  0.445  0.839  1.0
  O  O26  1  0.627  0.507  0.443  1.0
  O  O27  1  0.875  0.501  0.056  1.0
  O  O28  1  0.374  0.499  0.556  1.0
  O  O29  1  0.121  0.493  0.943  1.0
  O  O30  1  0.404  0.892  0.449  1.0
  O  O31  1  0.482  0.879  0.057  1.0
  O  O32  1  0.603  0.121  0.557  1.0
  O  O33  1  0.512  0.108  0.949  1.0
  O  O34  1  0.661  0.776  0.324  1.0
  O  O35  1  0.137  0.743  0.174  1.0
  O  O36  1  0.394  0.257  0.674  1.0
  O  O37  1  0.885  0.224  0.824  1.0
  O  O38  1  0.017  0.128  0.450  1.0
  O  O39  1  0.096  0.114  0.053  1.0
  O  O40  1  0.982  0.886  0.553  1.0
  O  O41  1  0.889  0.872  0.950  1.0
[/CIF]
.
The material structure described by NaAl3Si3(HO6)2 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and edges with three equivalent Al(1)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Al(1), one Al(2), and one Al(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Na(1), one Al(3), and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one H(2) atom. is represented by the CIF file [CIF]
data_NaAl3Si3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.182
_cell_length_b   5.189
_cell_length_c   19.632
_cell_angle_alpha   92.409
_cell_angle_beta   85.172
_cell_angle_gamma   119.955
_symmetry_Int_Tables_number   1
_cell_volume   455.735
_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
  Na  Na0  1  0.078  0.185  0.265  1.0
  Na  Na1  1  0.893  0.815  0.765  1.0
  Al  Al2  1  0.334  0.166  0.498  1.0
  Al  Al3  1  0.829  0.161  0.997  1.0
  Al  Al4  1  0.667  0.839  0.497  1.0
  Al  Al5  1  0.168  0.834  0.998  1.0
  Al  Al6  1  0.380  0.854  0.359  1.0
  Al  Al7  1  0.526  0.146  0.859  1.0
  Si  Si8  1  0.479  0.859  0.139  1.0
  Si  Si9  1  0.620  0.141  0.639  1.0
  Si  Si10  1  0.696  0.512  0.358  1.0
  Si  Si11  1  0.823  0.517  0.139  1.0
  Si  Si12  1  0.306  0.483  0.639  1.0
  Si  Si13  1  0.184  0.488  0.858  1.0
  H  H14  1  0.024  0.292  0.426  1.0
  H  H15  1  0.273  0.297  0.065  1.0
  H  H16  1  0.977  0.703  0.565  1.0
  H  H17  1  0.732  0.708  0.926  1.0
  O  O18  1  0.451  0.194  0.326  1.0
  O  O19  1  0.698  0.186  0.173  1.0
  O  O20  1  0.512  0.814  0.673  1.0
  O  O21  1  0.257  0.806  0.826  1.0
  O  O22  1  0.030  0.555  0.339  1.0
  O  O23  1  0.575  0.619  0.162  1.0
  O  O24  1  0.956  0.381  0.662  1.0
  O  O25  1  0.475  0.445  0.839  1.0
  O  O26  1  0.627  0.507  0.443  1.0
  O  O27  1  0.875  0.501  0.056  1.0
  O  O28  1  0.374  0.499  0.556  1.0
  O  O29  1  0.121  0.493  0.943  1.0
  O  O30  1  0.404  0.892  0.449  1.0
  O  O31  1  0.482  0.879  0.057  1.0
  O  O32  1  0.603  0.121  0.557  1.0
  O  O33  1  0.512  0.108  0.949  1.0
  O  O34  1  0.661  0.776  0.324  1.0
  O  O35  1  0.137  0.743  0.174  1.0
  O  O36  1  0.394  0.257  0.674  1.0
  O  O37  1  0.885  0.224  0.824  1.0
  O  O38  1  0.017  0.128  0.450  1.0
  O  O39  1  0.096  0.114  0.053  1.0
  O  O40  1  0.982  0.886  0.553  1.0
  O  O41  1  0.889  0.872  0.950  1.0
[/CIF]
.