The material structure described by NaSi2(HO2)3 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to one O(4) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Si(2), one H(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.262
_cell_length_b   9.834
_cell_length_c   8.923
_cell_angle_alpha   81.484
_cell_angle_beta   52.483
_cell_angle_gamma   46.032
_symmetry_Int_Tables_number   1
_cell_volume   538.451
_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  0.265  0.761  0.514  1.0
  Na  Na1  1  0.460  0.514  0.761  1.0
  Na  Na2  1  0.736  0.790  0.985  1.0
  Na  Na3  1  0.489  0.985  0.790  1.0
  Si  Si4  1  0.750  0.298  0.954  1.0
  Si  Si5  1  0.998  0.954  0.298  1.0
  Si  Si6  1  0.296  0.252  0.500  1.0
  Si  Si7  1  0.952  0.500  0.252  1.0
  Si  Si8  1  0.012  0.304  0.937  1.0
  Si  Si9  1  0.747  0.937  0.304  1.0
  Si  Si10  1  0.313  0.503  0.238  1.0
  Si  Si11  1  0.946  0.238  0.503  1.0
  H  H12  1  0.405  0.869  0.126  1.0
  H  H13  1  0.600  0.126  0.869  1.0
  H  H14  1  0.124  0.650  0.845  1.0
  H  H15  1  0.381  0.845  0.650  1.0
  H  H16  1  0.606  0.654  0.903  1.0
  H  H17  1  0.837  0.903  0.654  1.0
  H  H18  1  0.347  0.413  0.644  1.0
  H  H19  1  0.596  0.644  0.413  1.0
  H  H20  1  0.296  0.056  0.377  1.0
  H  H21  1  0.271  0.377  0.056  1.0
  H  H22  1  0.873  0.979  0.954  1.0
  H  H23  1  0.194  0.954  0.979  1.0
  O  O24  1  0.826  0.347  0.012  1.0
  O  O25  1  0.815  0.012  0.347  1.0
  O  O26  1  0.238  0.435  0.424  1.0
  O  O27  1  0.903  0.424  0.435  1.0
  O  O28  1  0.070  0.382  0.751  1.0
  O  O29  1  0.798  0.751  0.382  1.0
  O  O30  1  0.499  0.452  0.180  1.0
  O  O31  1  0.868  0.180  0.452  1.0
  O  O32  1  0.543  0.788  0.973  1.0
  O  O33  1  0.696  0.973  0.788  1.0
  O  O34  1  0.277  0.554  0.707  1.0
  O  O35  1  0.462  0.707  0.554  1.0
  O  O36  1  0.183  0.029  0.399  1.0
  O  O37  1  0.389  0.399  0.029  1.0
  O  O38  1  0.851  0.861  0.067  1.0
  O  O39  1  0.221  0.067  0.861  1.0
  O  O40  1  0.393  0.056  0.345  1.0
  O  O41  1  0.206  0.345  0.056  1.0
  O  O42  1  0.905  0.044  0.857  1.0
  O  O43  1  0.194  0.857  0.044  1.0
  O  O44  1  0.756  0.374  0.773  1.0
  O  O45  1  0.097  0.773  0.374  1.0
  O  O46  1  0.477  0.153  0.494  1.0
  O  O47  1  0.876  0.494  0.153  1.0
[/CIF]
.
The material structure described by NaSi2(HO2)3 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a linear geometry to one O(4) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Si(2), one H(1), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi2(HO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.262
_cell_length_b   9.834
_cell_length_c   8.923
_cell_angle_alpha   81.484
_cell_angle_beta   52.483
_cell_angle_gamma   46.032
_symmetry_Int_Tables_number   1
_cell_volume   538.451
_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  0.265  0.761  0.514  1.0
  Na  Na1  1  0.460  0.514  0.761  1.0
  Na  Na2  1  0.736  0.790  0.985  1.0
  Na  Na3  1  0.489  0.985  0.790  1.0
  Si  Si4  1  0.750  0.298  0.954  1.0
  Si  Si5  1  0.998  0.954  0.298  1.0
  Si  Si6  1  0.296  0.252  0.500  1.0
  Si  Si7  1  0.952  0.500  0.252  1.0
  Si  Si8  1  0.012  0.304  0.937  1.0
  Si  Si9  1  0.747  0.937  0.304  1.0
  Si  Si10  1  0.313  0.503  0.238  1.0
  Si  Si11  1  0.946  0.238  0.503  1.0
  H  H12  1  0.405  0.869  0.126  1.0
  H  H13  1  0.600  0.126  0.869  1.0
  H  H14  1  0.124  0.650  0.845  1.0
  H  H15  1  0.381  0.845  0.650  1.0
  H  H16  1  0.606  0.654  0.903  1.0
  H  H17  1  0.837  0.903  0.654  1.0
  H  H18  1  0.347  0.413  0.644  1.0
  H  H19  1  0.596  0.644  0.413  1.0
  H  H20  1  0.296  0.056  0.377  1.0
  H  H21  1  0.271  0.377  0.056  1.0
  H  H22  1  0.873  0.979  0.954  1.0
  H  H23  1  0.194  0.954  0.979  1.0
  O  O24  1  0.826  0.347  0.012  1.0
  O  O25  1  0.815  0.012  0.347  1.0
  O  O26  1  0.238  0.435  0.424  1.0
  O  O27  1  0.903  0.424  0.435  1.0
  O  O28  1  0.070  0.382  0.751  1.0
  O  O29  1  0.798  0.751  0.382  1.0
  O  O30  1  0.499  0.452  0.180  1.0
  O  O31  1  0.868  0.180  0.452  1.0
  O  O32  1  0.543  0.788  0.973  1.0
  O  O33  1  0.696  0.973  0.788  1.0
  O  O34  1  0.277  0.554  0.707  1.0
  O  O35  1  0.462  0.707  0.554  1.0
  O  O36  1  0.183  0.029  0.399  1.0
  O  O37  1  0.389  0.399  0.029  1.0
  O  O38  1  0.851  0.861  0.067  1.0
  O  O39  1  0.221  0.067  0.861  1.0
  O  O40  1  0.393  0.056  0.345  1.0
  O  O41  1  0.206  0.345  0.056  1.0
  O  O42  1  0.905  0.044  0.857  1.0
  O  O43  1  0.194  0.857  0.044  1.0
  O  O44  1  0.756  0.374  0.773  1.0
  O  O45  1  0.097  0.773  0.374  1.0
  O  O46  1  0.477  0.153  0.494  1.0
  O  O47  1  0.876  0.494  0.153  1.0
[/CIF]
.