The material described by Na4Al3Si3HO13 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and one O(5) atom. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Al(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. H(1) is bonded in a single-bond geometry to three equivalent Na(1) and one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(2), three equivalent Na(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(2), 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 Na(1), one Al(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na4Al3Si3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.834
_cell_length_b   8.834
_cell_length_c   8.834
_cell_angle_alpha   90.351
_cell_angle_beta   90.351
_cell_angle_gamma   90.352
_symmetry_Int_Tables_number   1
_cell_volume   689.254
_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  0.842  0.842  0.169  1.0
  Na  Na1  1  0.150  0.150  0.150  1.0
  Na  Na2  1  0.342  0.669  0.342  1.0
  Na  Na3  1  0.669  0.342  0.342  1.0
  Na  Na4  1  0.650  0.650  0.650  1.0
  Na  Na5  1  0.342  0.342  0.669  1.0
  Na  Na6  1  0.169  0.842  0.842  1.0
  Na  Na7  1  0.842  0.169  0.842  1.0
  Al  Al8  1  0.501  0.750  0.000  1.0
  Al  Al9  1  0.001  0.500  0.250  1.0
  Al  Al10  1  0.250  0.001  0.500  1.0
  Al  Al11  1  0.750  0.000  0.501  1.0
  Al  Al12  1  0.000  0.501  0.750  1.0
  Al  Al13  1  0.500  0.250  0.001  1.0
  Si  Si14  1  0.750  0.502  1.000  1.0
  Si  Si15  1  0.250  0.500  0.002  1.0
  Si  Si16  1  0.500  0.002  0.250  1.0
  Si  Si17  1  0.002  0.250  0.500  1.0
  Si  Si18  1  1.000  0.750  0.502  1.0
  Si  Si19  1  0.502  1.000  0.750  1.0
  H  H20  1  0.425  0.425  0.425  1.0
  H  H21  1  0.925  0.925  0.925  1.0
  O  O22  1  0.990  0.990  0.990  1.0
  O  O23  1  0.355  0.637  0.074  1.0
  O  O24  1  0.648  0.365  0.073  1.0
  O  O25  1  0.855  0.574  0.137  1.0
  O  O26  1  0.147  0.426  0.137  1.0
  O  O27  1  0.573  0.865  0.148  1.0
  O  O28  1  0.426  0.137  0.147  1.0
  O  O29  1  0.363  0.930  0.353  1.0
  O  O30  1  0.637  0.074  0.355  1.0
  O  O31  1  0.073  0.648  0.365  1.0
  O  O32  1  0.930  0.353  0.363  1.0
  O  O33  1  0.863  0.853  0.430  1.0
  O  O34  1  0.137  0.147  0.426  1.0
  O  O35  1  0.490  0.490  0.490  1.0
  O  O36  1  0.137  0.855  0.574  1.0
  O  O37  1  0.865  0.148  0.573  1.0
  O  O38  1  0.926  0.647  0.637  1.0
  O  O39  1  0.074  0.355  0.637  1.0
  O  O40  1  0.637  0.926  0.647  1.0
  O  O41  1  0.365  0.073  0.648  1.0
  O  O42  1  0.430  0.863  0.853  1.0
  O  O43  1  0.574  0.137  0.855  1.0
  O  O44  1  0.853  0.430  0.863  1.0
  O  O45  1  0.148  0.573  0.865  1.0
  O  O46  1  0.647  0.637  0.926  1.0
  O  O47  1  0.353  0.363  0.930  1.0
[/CIF]
.
The material described by Na4Al3Si3HO13 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and one O(5) atom. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Al(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. H(1) is bonded in a single-bond geometry to three equivalent Na(1) and one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(2), three equivalent Na(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(2), 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 Na(1), one Al(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na4Al3Si3HO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.834
_cell_length_b   8.834
_cell_length_c   8.834
_cell_angle_alpha   90.351
_cell_angle_beta   90.351
_cell_angle_gamma   90.352
_symmetry_Int_Tables_number   1
_cell_volume   689.254
_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  0.842  0.842  0.169  1.0
  Na  Na1  1  0.150  0.150  0.150  1.0
  Na  Na2  1  0.342  0.669  0.342  1.0
  Na  Na3  1  0.669  0.342  0.342  1.0
  Na  Na4  1  0.650  0.650  0.650  1.0
  Na  Na5  1  0.342  0.342  0.669  1.0
  Na  Na6  1  0.169  0.842  0.842  1.0
  Na  Na7  1  0.842  0.169  0.842  1.0
  Al  Al8  1  0.501  0.750  0.000  1.0
  Al  Al9  1  0.001  0.500  0.250  1.0
  Al  Al10  1  0.250  0.001  0.500  1.0
  Al  Al11  1  0.750  0.000  0.501  1.0
  Al  Al12  1  0.000  0.501  0.750  1.0
  Al  Al13  1  0.500  0.250  0.001  1.0
  Si  Si14  1  0.750  0.502  1.000  1.0
  Si  Si15  1  0.250  0.500  0.002  1.0
  Si  Si16  1  0.500  0.002  0.250  1.0
  Si  Si17  1  0.002  0.250  0.500  1.0
  Si  Si18  1  1.000  0.750  0.502  1.0
  Si  Si19  1  0.502  1.000  0.750  1.0
  H  H20  1  0.425  0.425  0.425  1.0
  H  H21  1  0.925  0.925  0.925  1.0
  O  O22  1  0.990  0.990  0.990  1.0
  O  O23  1  0.355  0.637  0.074  1.0
  O  O24  1  0.648  0.365  0.073  1.0
  O  O25  1  0.855  0.574  0.137  1.0
  O  O26  1  0.147  0.426  0.137  1.0
  O  O27  1  0.573  0.865  0.148  1.0
  O  O28  1  0.426  0.137  0.147  1.0
  O  O29  1  0.363  0.930  0.353  1.0
  O  O30  1  0.637  0.074  0.355  1.0
  O  O31  1  0.073  0.648  0.365  1.0
  O  O32  1  0.930  0.353  0.363  1.0
  O  O33  1  0.863  0.853  0.430  1.0
  O  O34  1  0.137  0.147  0.426  1.0
  O  O35  1  0.490  0.490  0.490  1.0
  O  O36  1  0.137  0.855  0.574  1.0
  O  O37  1  0.865  0.148  0.573  1.0
  O  O38  1  0.926  0.647  0.637  1.0
  O  O39  1  0.074  0.355  0.637  1.0
  O  O40  1  0.637  0.926  0.647  1.0
  O  O41  1  0.365  0.073  0.648  1.0
  O  O42  1  0.430  0.863  0.853  1.0
  O  O43  1  0.574  0.137  0.855  1.0
  O  O44  1  0.853  0.430  0.863  1.0
  O  O45  1  0.148  0.573  0.865  1.0
  O  O46  1  0.647  0.637  0.926  1.0
  O  O47  1  0.353  0.363  0.930  1.0
[/CIF]
.