The compound described by Na2Al2Si3(HO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one H(7), one O(1), one O(12), one O(13), one O(21), one O(4), and one O(8) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(17), one O(22), one O(23), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded to one O(13), one O(16), one O(19), and one O(8) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra,  an edgeedge with one Al(3)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one H(4), one O(10), one O(16), one O(2), one O(20), one O(24), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(12), one O(16), one O(6), and one O(8) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(3)HO3 tetrahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  an edgeedge with one Na(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(14), one O(21), one O(4), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Si(3)HO3 tetrahedra. In the third Al site, Al(3) is bonded to one O(17), one O(19), one O(21), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  an edgeedge with one Na(3)O4 tetrahedra. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(21), and one O(3) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a trigonal non-coplanar geometry to one O(12), one O(15), and one O(7) atom. In the second Si site, Si(2) is bonded to one O(18), one O(22), one O(23), one O(24), and one O(3) atom to form SiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra and  a cornercorner with one O(16)Na2AlO tetrahedra. In the third Si site, Si(3) is bonded to one H(1), one O(11), one O(14), and one O(7) atom to form SiHO3 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(1), one O(18), one O(20), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra and  a cornercorner with one Si(2)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded in a distorted water-like geometry to one H(5) and one O(13) atom. In the sixth Si site, Si(6) is bonded to one O(10), one O(19), one O(2), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(3)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Si(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(24) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Na(4) and one O(9) atom. In the fifth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one Si(5) and one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted bent 150 degrees geometry to one Na(1), one O(13), and one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(15) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(4), and one Si(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Si(6), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Al(4), one Si(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Al(2), one H(7), and one O(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Al(1), one H(6), and one O(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Al(1), and one Al(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Al(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Na(4), one Si(6), and one O(17) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Al(1), one Al(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Na(1), one Al(1), and one Si(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Si(5), and one H(7) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Al(2), one Al(4), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Si(1) and one H(8) atom. In the sixteenth O site, O(16) is bonded to one Na(3), one Na(4), one Al(1), and one O(22) atom to form distorted ONa2AlO tetrahedra that share  a cornercorner with one Si(2)O5 trigonal bipyramid. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(2), one Al(3), one H(5), and one O(10) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Si(2) and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one Al(3), and one Si(6) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(4), one Si(4), and one O(23) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Al(2), one Al(3), and one Al(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Na(2), one Si(2), and one O(16) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(2), one Si(2), and one O(20) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Na(4), one Si(2), and one H(2) atom. is represented by the CIF card [CIF]
data_Na2Al2Si3(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.207
_cell_length_b   8.178
_cell_length_c   8.433
_cell_angle_alpha   95.825
_cell_angle_beta   73.836
_cell_angle_gamma   78.556
_symmetry_Int_Tables_number   1
_cell_volume   589.338
_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  0.296  0.989  0.253  1.0
  Na  Na1  1  0.586  0.414  0.784  1.0
  Na  Na2  1  0.667  0.771  0.047  1.0
  Na  Na3  1  0.784  0.013  0.679  1.0
  Al  Al4  1  0.415  0.943  0.863  1.0
  Al  Al5  1  0.425  0.145  0.558  1.0
  Al  Al6  1  0.566  0.153  0.135  1.0
  Al  Al7  1  0.243  0.383  0.424  1.0
  Si  Si8  1  0.227  0.673  0.053  1.0
  Si  Si9  1  0.849  0.587  0.510  1.0
  Si  Si10  1  0.225  0.348  0.829  1.0
  Si  Si11  1  0.982  0.290  0.278  1.0
  Si  Si12  1  0.351  0.579  0.250  1.0
  Si  Si13  1  0.896  0.079  0.999  1.0
  H  H14  1  0.059  0.374  0.922  1.0
  H  H15  1  0.907  0.794  0.355  1.0
  H  H16  1  0.049  0.666  0.586  1.0
  H  H17  1  0.680  0.193  0.496  1.0
  H  H18  1  0.467  0.437  0.116  1.0
  H  H19  1  0.131  0.923  0.793  1.0
  H  H20  1  0.437  0.788  0.393  1.0
  H  H21  1  0.991  0.620  0.166  1.0
  O  O22  1  0.152  0.267  0.304  1.0
  O  O23  1  0.014  0.941  0.837  1.0
  O  O24  1  0.025  0.557  0.559  1.0
  O  O25  1  0.380  0.941  0.536  1.0
  O  O26  1  0.989  0.169  0.110  1.0
  O  O27  1  0.333  0.867  0.693  1.0
  O  O28  1  0.291  0.507  0.895  1.0
  O  O29  1  0.482  0.031  0.026  1.0
  O  O30  1  0.597  0.179  0.592  1.0
  O  O31  1  0.810  0.214  0.897  1.0
  O  O32  1  0.340  0.164  0.813  1.0
  O  O33  1  0.284  0.838  0.997  1.0
  O  O34  1  0.460  0.717  0.277  1.0
  O  O35  1  0.255  0.338  0.625  1.0
  O  O36  1  0.033  0.714  0.119  1.0
  O  O37  1  0.628  0.815  0.781  1.0
  O  O38  1  0.644  0.317  0.023  1.0
  O  O39  1  0.900  0.494  0.302  1.0
  O  O40  1  0.753  0.018  0.121  1.0
  O  O41  1  0.863  0.232  0.440  1.0
  O  O42  1  0.436  0.201  0.348  1.0
  O  O43  1  0.676  0.644  0.670  1.0
  O  O44  1  0.827  0.383  0.574  1.0
  O  O45  1  0.847  0.788  0.470  1.0
[/CIF]
.
The compound described by Na2Al2Si3(HO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one H(7), one O(1), one O(12), one O(13), one O(21), one O(4), and one O(8) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(17), one O(22), one O(23), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded to one O(13), one O(16), one O(19), and one O(8) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra,  an edgeedge with one Al(3)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one H(4), one O(10), one O(16), one O(2), one O(20), one O(24), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(12), one O(16), one O(6), and one O(8) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(3)HO3 tetrahedra,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  an edgeedge with one Na(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(14), one O(21), one O(4), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Si(3)HO3 tetrahedra. In the third Al site, Al(3) is bonded to one O(17), one O(19), one O(21), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, and  an edgeedge with one Na(3)O4 tetrahedra. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(21), and one O(3) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a trigonal non-coplanar geometry to one O(12), one O(15), and one O(7) atom. In the second Si site, Si(2) is bonded to one O(18), one O(22), one O(23), one O(24), and one O(3) atom to form SiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra and  a cornercorner with one O(16)Na2AlO tetrahedra. In the third Si site, Si(3) is bonded to one H(1), one O(11), one O(14), and one O(7) atom to form SiHO3 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(1), one O(18), one O(20), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra and  a cornercorner with one Si(2)O5 trigonal bipyramid. In the fifth Si site, Si(5) is bonded in a distorted water-like geometry to one H(5) and one O(13) atom. In the sixth Si site, Si(6) is bonded to one O(10), one O(19), one O(2), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(3)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Si(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(24) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Na(4) and one O(9) atom. In the fifth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one Si(5) and one O(17) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted bent 150 degrees geometry to one Na(1), one O(13), and one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(15) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(4), and one Si(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Si(6), and one H(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Al(4), one Si(2), and one H(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Al(2), one H(7), and one O(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Al(1), one H(6), and one O(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Al(1), and one Al(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Al(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Na(4), one Si(6), and one O(17) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Al(1), one Al(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Na(1), one Al(1), and one Si(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Si(5), and one H(7) atom. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Al(2), one Al(4), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Si(1) and one H(8) atom. In the sixteenth O site, O(16) is bonded to one Na(3), one Na(4), one Al(1), and one O(22) atom to form distorted ONa2AlO tetrahedra that share  a cornercorner with one Si(2)O5 trigonal bipyramid. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(2), one Al(3), one H(5), and one O(10) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Si(2) and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one Al(3), and one Si(6) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(4), one Si(4), and one O(23) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Al(2), one Al(3), and one Al(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Na(2), one Si(2), and one O(16) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(2), one Si(2), and one O(20) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Na(4), one Si(2), and one H(2) atom. is represented by the CIF card [CIF]
data_Na2Al2Si3(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.207
_cell_length_b   8.178
_cell_length_c   8.433
_cell_angle_alpha   95.825
_cell_angle_beta   73.836
_cell_angle_gamma   78.556
_symmetry_Int_Tables_number   1
_cell_volume   589.338
_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  0.296  0.989  0.253  1.0
  Na  Na1  1  0.586  0.414  0.784  1.0
  Na  Na2  1  0.667  0.771  0.047  1.0
  Na  Na3  1  0.784  0.013  0.679  1.0
  Al  Al4  1  0.415  0.943  0.863  1.0
  Al  Al5  1  0.425  0.145  0.558  1.0
  Al  Al6  1  0.566  0.153  0.135  1.0
  Al  Al7  1  0.243  0.383  0.424  1.0
  Si  Si8  1  0.227  0.673  0.053  1.0
  Si  Si9  1  0.849  0.587  0.510  1.0
  Si  Si10  1  0.225  0.348  0.829  1.0
  Si  Si11  1  0.982  0.290  0.278  1.0
  Si  Si12  1  0.351  0.579  0.250  1.0
  Si  Si13  1  0.896  0.079  0.999  1.0
  H  H14  1  0.059  0.374  0.922  1.0
  H  H15  1  0.907  0.794  0.355  1.0
  H  H16  1  0.049  0.666  0.586  1.0
  H  H17  1  0.680  0.193  0.496  1.0
  H  H18  1  0.467  0.437  0.116  1.0
  H  H19  1  0.131  0.923  0.793  1.0
  H  H20  1  0.437  0.788  0.393  1.0
  H  H21  1  0.991  0.620  0.166  1.0
  O  O22  1  0.152  0.267  0.304  1.0
  O  O23  1  0.014  0.941  0.837  1.0
  O  O24  1  0.025  0.557  0.559  1.0
  O  O25  1  0.380  0.941  0.536  1.0
  O  O26  1  0.989  0.169  0.110  1.0
  O  O27  1  0.333  0.867  0.693  1.0
  O  O28  1  0.291  0.507  0.895  1.0
  O  O29  1  0.482  0.031  0.026  1.0
  O  O30  1  0.597  0.179  0.592  1.0
  O  O31  1  0.810  0.214  0.897  1.0
  O  O32  1  0.340  0.164  0.813  1.0
  O  O33  1  0.284  0.838  0.997  1.0
  O  O34  1  0.460  0.717  0.277  1.0
  O  O35  1  0.255  0.338  0.625  1.0
  O  O36  1  0.033  0.714  0.119  1.0
  O  O37  1  0.628  0.815  0.781  1.0
  O  O38  1  0.644  0.317  0.023  1.0
  O  O39  1  0.900  0.494  0.302  1.0
  O  O40  1  0.753  0.018  0.121  1.0
  O  O41  1  0.863  0.232  0.440  1.0
  O  O42  1  0.436  0.201  0.348  1.0
  O  O43  1  0.676  0.644  0.670  1.0
  O  O44  1  0.827  0.383  0.574  1.0
  O  O45  1  0.847  0.788  0.470  1.0
[/CIF]
.