The structure described by Na3SiH3O5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Na(2), one O(1), and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Na(1), one O(3), and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and one Si(1) atom to form distorted edge-sharing ONa4Si trigonal bipyramids. In the second O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Si(1), and one H(2) atom. In the third O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Si(1), one H(1), and one H(3) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Na(3), one H(2), and one H(3) atom. In the fifth O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), one Si(1), and one H(1) atom. is represented by the CIF file [CIF]
data_Na3SiH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   7.979
_cell_length_c   11.278
_cell_angle_alpha   74.772
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.911
_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
  Na  Na0  1  0.511  0.750  0.835  1.0
  Na  Na1  1  0.011  0.250  0.665  1.0
  Na  Na2  1  0.489  0.250  0.165  1.0
  Na  Na3  1  0.989  0.750  0.335  1.0
  Na  Na4  1  0.807  0.601  0.068  1.0
  Na  Na5  1  0.307  0.399  0.432  1.0
  Na  Na6  1  0.193  0.399  0.932  1.0
  Na  Na7  1  0.693  0.601  0.568  1.0
  Na  Na8  1  0.256  0.021  0.940  1.0
  Na  Na9  1  0.756  0.979  0.560  1.0
  Na  Na10  1  0.744  0.979  0.060  1.0
  Na  Na11  1  0.244  0.021  0.440  1.0
  Si  Si12  1  0.706  0.308  0.864  1.0
  Si  Si13  1  0.206  0.692  0.636  1.0
  Si  Si14  1  0.294  0.692  0.136  1.0
  Si  Si15  1  0.794  0.308  0.364  1.0
  H  H16  1  0.402  0.430  0.667  1.0
  H  H17  1  0.902  0.570  0.833  1.0
  H  H18  1  0.598  0.570  0.333  1.0
  H  H19  1  0.098  0.430  0.167  1.0
  H  H20  1  0.885  0.013  0.825  1.0
  H  H21  1  0.385  0.987  0.675  1.0
  H  H22  1  0.115  0.987  0.175  1.0
  H  H23  1  0.615  0.013  0.325  1.0
  H  H24  1  0.973  0.839  0.784  1.0
  H  H25  1  0.473  0.161  0.716  1.0
  H  H26  1  0.027  0.161  0.216  1.0
  H  H27  1  0.527  0.839  0.284  1.0
  O  O28  1  0.771  0.508  0.885  1.0
  O  O29  1  0.271  0.492  0.615  1.0
  O  O30  1  0.229  0.492  0.115  1.0
  O  O31  1  0.729  0.508  0.385  1.0
  O  O32  1  0.512  0.229  0.964  1.0
  O  O33  1  0.012  0.771  0.536  1.0
  O  O34  1  0.488  0.771  0.036  1.0
  O  O35  1  0.988  0.229  0.464  1.0
  O  O36  1  0.934  0.188  0.888  1.0
  O  O37  1  0.434  0.812  0.612  1.0
  O  O38  1  0.066  0.812  0.112  1.0
  O  O39  1  0.566  0.188  0.388  1.0
  O  O40  1  0.630  0.338  0.719  1.0
  O  O41  1  0.130  0.662  0.781  1.0
  O  O42  1  0.370  0.662  0.281  1.0
  O  O43  1  0.870  0.338  0.219  1.0
  O  O44  1  0.848  0.927  0.777  1.0
  O  O45  1  0.348  0.073  0.723  1.0
  O  O46  1  0.152  0.073  0.223  1.0
  O  O47  1  0.652  0.927  0.277  1.0
[/CIF]
.
The structure described by Na3SiH3O5 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one H(1), one O(1), one O(2), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Na(2), one O(1), and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Na(1), one O(3), and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Na(3), and one Si(1) atom to form distorted edge-sharing ONa4Si trigonal bipyramids. In the second O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Si(1), and one H(2) atom. In the third O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Si(1), one H(1), and one H(3) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Na(1), one Na(3), one H(2), and one H(3) atom. In the fifth O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), one Si(1), and one H(1) atom. is represented by the CIF file [CIF]
data_Na3SiH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   7.979
_cell_length_c   11.278
_cell_angle_alpha   74.772
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.911
_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
  Na  Na0  1  0.511  0.750  0.835  1.0
  Na  Na1  1  0.011  0.250  0.665  1.0
  Na  Na2  1  0.489  0.250  0.165  1.0
  Na  Na3  1  0.989  0.750  0.335  1.0
  Na  Na4  1  0.807  0.601  0.068  1.0
  Na  Na5  1  0.307  0.399  0.432  1.0
  Na  Na6  1  0.193  0.399  0.932  1.0
  Na  Na7  1  0.693  0.601  0.568  1.0
  Na  Na8  1  0.256  0.021  0.940  1.0
  Na  Na9  1  0.756  0.979  0.560  1.0
  Na  Na10  1  0.744  0.979  0.060  1.0
  Na  Na11  1  0.244  0.021  0.440  1.0
  Si  Si12  1  0.706  0.308  0.864  1.0
  Si  Si13  1  0.206  0.692  0.636  1.0
  Si  Si14  1  0.294  0.692  0.136  1.0
  Si  Si15  1  0.794  0.308  0.364  1.0
  H  H16  1  0.402  0.430  0.667  1.0
  H  H17  1  0.902  0.570  0.833  1.0
  H  H18  1  0.598  0.570  0.333  1.0
  H  H19  1  0.098  0.430  0.167  1.0
  H  H20  1  0.885  0.013  0.825  1.0
  H  H21  1  0.385  0.987  0.675  1.0
  H  H22  1  0.115  0.987  0.175  1.0
  H  H23  1  0.615  0.013  0.325  1.0
  H  H24  1  0.973  0.839  0.784  1.0
  H  H25  1  0.473  0.161  0.716  1.0
  H  H26  1  0.027  0.161  0.216  1.0
  H  H27  1  0.527  0.839  0.284  1.0
  O  O28  1  0.771  0.508  0.885  1.0
  O  O29  1  0.271  0.492  0.615  1.0
  O  O30  1  0.229  0.492  0.115  1.0
  O  O31  1  0.729  0.508  0.385  1.0
  O  O32  1  0.512  0.229  0.964  1.0
  O  O33  1  0.012  0.771  0.536  1.0
  O  O34  1  0.488  0.771  0.036  1.0
  O  O35  1  0.988  0.229  0.464  1.0
  O  O36  1  0.934  0.188  0.888  1.0
  O  O37  1  0.434  0.812  0.612  1.0
  O  O38  1  0.066  0.812  0.112  1.0
  O  O39  1  0.566  0.188  0.388  1.0
  O  O40  1  0.630  0.338  0.719  1.0
  O  O41  1  0.130  0.662  0.781  1.0
  O  O42  1  0.370  0.662  0.281  1.0
  O  O43  1  0.870  0.338  0.219  1.0
  O  O44  1  0.848  0.927  0.777  1.0
  O  O45  1  0.348  0.073  0.723  1.0
  O  O46  1  0.152  0.073  0.223  1.0
  O  O47  1  0.652  0.927  0.277  1.0
[/CIF]
.