The material structure described by Na3VSi4(HO6)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(7), one O(9), and two equivalent O(10) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Si site, Si(2) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(3), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(12) and one O(5) 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 bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one V(1), and one Si(2) atom to form distorted corner-sharing ONa2VSi tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one V(2), and one Si(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one V(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one V(1), one Si(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), one Si(1), and one Si(3) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one V(2), and one Si(2) atom to form distorted corner-sharing ONa2VSi tetrahedra. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(2), one Si(3), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one V(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(2), one Na(3), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Na3VSi4(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   8.789
_cell_length_c   9.224
_cell_angle_alpha   117.536
_cell_angle_beta   96.096
_cell_angle_gamma   88.454
_symmetry_Int_Tables_number   1
_cell_volume   543.405
_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  0.147  0.737  0.871  1.0
  Na  Na1  1  0.853  0.263  0.129  1.0
  Na  Na2  1  0.342  0.854  0.576  1.0
  Na  Na3  1  0.658  0.146  0.424  1.0
  Na  Na4  1  0.362  0.397  0.175  1.0
  Na  Na5  1  0.638  0.603  0.825  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  Si  Si8  1  0.224  0.290  0.682  1.0
  Si  Si9  1  0.776  0.710  0.318  1.0
  Si  Si10  1  0.114  0.091  0.843  1.0
  Si  Si11  1  0.886  0.909  0.157  1.0
  Si  Si12  1  0.398  0.745  0.167  1.0
  Si  Si13  1  0.602  0.255  0.833  1.0
  Si  Si14  1  0.265  0.092  0.307  1.0
  Si  Si15  1  0.735  0.908  0.693  1.0
  H  H16  1  0.094  0.570  0.362  1.0
  H  H17  1  0.906  0.430  0.638  1.0
  H  H18  1  0.196  0.484  0.465  1.0
  H  H19  1  0.804  0.516  0.535  1.0
  O  O20  1  0.230  0.250  0.489  1.0
  O  O21  1  0.770  0.750  0.511  1.0
  O  O22  1  0.094  0.278  0.996  1.0
  O  O23  1  0.906  0.722  0.004  1.0
  O  O24  1  0.396  0.161  0.225  1.0
  O  O25  1  0.604  0.839  0.775  1.0
  O  O26  1  0.441  0.786  0.020  1.0
  O  O27  1  0.559  0.214  0.980  1.0
  O  O28  1  0.092  0.446  0.768  1.0
  O  O29  1  0.908  0.554  0.232  1.0
  O  O30  1  0.431  0.337  0.767  1.0
  O  O31  1  0.569  0.663  0.233  1.0
  O  O32  1  0.266  0.968  0.863  1.0
  O  O33  1  0.734  0.032  0.137  1.0
  O  O34  1  0.928  0.977  0.799  1.0
  O  O35  1  0.072  0.023  0.201  1.0
  O  O36  1  0.158  0.110  0.678  1.0
  O  O37  1  0.842  0.890  0.322  1.0
  O  O38  1  0.361  0.932  0.335  1.0
  O  O39  1  0.639  0.068  0.665  1.0
  O  O40  1  0.233  0.615  0.118  1.0
  O  O41  1  0.767  0.385  0.882  1.0
  O  O42  1  0.206  0.575  0.433  1.0
  O  O43  1  0.794  0.425  0.567  1.0
[/CIF]
.
The material structure described by Na3VSi4(HO6)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(7), one O(9), and two equivalent O(10) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Si site, Si(2) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(3), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(12) and one O(5) 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 bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one V(1), and one Si(2) atom to form distorted corner-sharing ONa2VSi tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one V(2), and one Si(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one V(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one V(1), one Si(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), one Si(1), and one Si(3) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one V(2), and one Si(2) atom to form distorted corner-sharing ONa2VSi tetrahedra. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(2), one Si(3), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one V(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(2), one Na(3), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Na3VSi4(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   8.789
_cell_length_c   9.224
_cell_angle_alpha   117.536
_cell_angle_beta   96.096
_cell_angle_gamma   88.454
_symmetry_Int_Tables_number   1
_cell_volume   543.405
_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  0.147  0.737  0.871  1.0
  Na  Na1  1  0.853  0.263  0.129  1.0
  Na  Na2  1  0.342  0.854  0.576  1.0
  Na  Na3  1  0.658  0.146  0.424  1.0
  Na  Na4  1  0.362  0.397  0.175  1.0
  Na  Na5  1  0.638  0.603  0.825  1.0
  V  V6  1  0.000  0.500  0.000  1.0
  V  V7  1  0.500  0.000  0.000  1.0
  Si  Si8  1  0.224  0.290  0.682  1.0
  Si  Si9  1  0.776  0.710  0.318  1.0
  Si  Si10  1  0.114  0.091  0.843  1.0
  Si  Si11  1  0.886  0.909  0.157  1.0
  Si  Si12  1  0.398  0.745  0.167  1.0
  Si  Si13  1  0.602  0.255  0.833  1.0
  Si  Si14  1  0.265  0.092  0.307  1.0
  Si  Si15  1  0.735  0.908  0.693  1.0
  H  H16  1  0.094  0.570  0.362  1.0
  H  H17  1  0.906  0.430  0.638  1.0
  H  H18  1  0.196  0.484  0.465  1.0
  H  H19  1  0.804  0.516  0.535  1.0
  O  O20  1  0.230  0.250  0.489  1.0
  O  O21  1  0.770  0.750  0.511  1.0
  O  O22  1  0.094  0.278  0.996  1.0
  O  O23  1  0.906  0.722  0.004  1.0
  O  O24  1  0.396  0.161  0.225  1.0
  O  O25  1  0.604  0.839  0.775  1.0
  O  O26  1  0.441  0.786  0.020  1.0
  O  O27  1  0.559  0.214  0.980  1.0
  O  O28  1  0.092  0.446  0.768  1.0
  O  O29  1  0.908  0.554  0.232  1.0
  O  O30  1  0.431  0.337  0.767  1.0
  O  O31  1  0.569  0.663  0.233  1.0
  O  O32  1  0.266  0.968  0.863  1.0
  O  O33  1  0.734  0.032  0.137  1.0
  O  O34  1  0.928  0.977  0.799  1.0
  O  O35  1  0.072  0.023  0.201  1.0
  O  O36  1  0.158  0.110  0.678  1.0
  O  O37  1  0.842  0.890  0.322  1.0
  O  O38  1  0.361  0.932  0.335  1.0
  O  O39  1  0.639  0.068  0.665  1.0
  O  O40  1  0.233  0.615  0.118  1.0
  O  O41  1  0.767  0.385  0.882  1.0
  O  O42  1  0.206  0.575  0.433  1.0
  O  O43  1  0.794  0.425  0.567  1.0
[/CIF]
.