The material structure described by LiVSi4(HO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids 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,  a cornercorner with one Si(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) 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(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the third Si site, Si(3) is bonded to one O(11), one O(2), one O(6), and one O(9) 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,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), 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(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-42°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSi4(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   8.151
_cell_length_c   9.303
_cell_angle_alpha   62.435
_cell_angle_beta   88.928
_cell_angle_gamma   88.598
_symmetry_Int_Tables_number   1
_cell_volume   494.270
_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
  Li  Li0  1  0.372  0.394  0.818  1.0
  Li  Li1  1  0.628  0.606  0.182  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  Si  Si4  1  0.125  0.054  0.177  1.0
  Si  Si5  1  0.250  0.293  0.313  1.0
  Si  Si6  1  0.247  0.110  0.685  1.0
  Si  Si7  1  0.389  0.725  0.842  1.0
  Si  Si8  1  0.611  0.275  0.158  1.0
  Si  Si9  1  0.753  0.890  0.315  1.0
  Si  Si10  1  0.750  0.707  0.687  1.0
  Si  Si11  1  0.875  0.946  0.823  1.0
  H  H12  1  0.106  0.559  0.656  1.0
  H  H13  1  0.219  0.512  0.533  1.0
  H  H14  1  0.781  0.488  0.467  1.0
  H  H15  1  0.894  0.441  0.344  1.0
  O  O16  1  0.088  0.440  0.213  1.0
  O  O17  1  0.037  0.097  0.747  1.0
  O  O18  1  0.213  0.091  0.321  1.0
  O  O19  1  0.049  0.257  0.039  1.0
  O  O20  1  0.230  0.542  0.622  1.0
  O  O21  1  0.256  0.273  0.496  1.0
  O  O22  1  0.277  0.963  0.104  1.0
  O  O23  1  0.241  0.561  0.915  1.0
  O  O24  1  0.310  0.913  0.691  1.0
  O  O25  1  0.450  0.366  0.227  1.0
  O  O26  1  0.383  0.156  0.798  1.0
  O  O27  1  0.530  0.219  0.024  1.0
  O  O28  1  0.470  0.781  0.976  1.0
  O  O29  1  0.617  0.844  0.202  1.0
  O  O30  1  0.550  0.634  0.773  1.0
  O  O31  1  0.690  0.087  0.309  1.0
  O  O32  1  0.759  0.439  0.085  1.0
  O  O33  1  0.723  0.037  0.896  1.0
  O  O34  1  0.744  0.727  0.504  1.0
  O  O35  1  0.770  0.458  0.378  1.0
  O  O36  1  0.951  0.743  0.961  1.0
  O  O37  1  0.787  0.909  0.679  1.0
  O  O38  1  0.963  0.903  0.253  1.0
  O  O39  1  0.912  0.560  0.787  1.0
[/CIF]
.
The material structure described by LiVSi4(HO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids 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,  a cornercorner with one Si(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) 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(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the third Si site, Si(3) is bonded to one O(11), one O(2), one O(6), and one O(9) 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,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), 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(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-42°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSi4(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   8.151
_cell_length_c   9.303
_cell_angle_alpha   62.435
_cell_angle_beta   88.928
_cell_angle_gamma   88.598
_symmetry_Int_Tables_number   1
_cell_volume   494.270
_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
  Li  Li0  1  0.372  0.394  0.818  1.0
  Li  Li1  1  0.628  0.606  0.182  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  Si  Si4  1  0.125  0.054  0.177  1.0
  Si  Si5  1  0.250  0.293  0.313  1.0
  Si  Si6  1  0.247  0.110  0.685  1.0
  Si  Si7  1  0.389  0.725  0.842  1.0
  Si  Si8  1  0.611  0.275  0.158  1.0
  Si  Si9  1  0.753  0.890  0.315  1.0
  Si  Si10  1  0.750  0.707  0.687  1.0
  Si  Si11  1  0.875  0.946  0.823  1.0
  H  H12  1  0.106  0.559  0.656  1.0
  H  H13  1  0.219  0.512  0.533  1.0
  H  H14  1  0.781  0.488  0.467  1.0
  H  H15  1  0.894  0.441  0.344  1.0
  O  O16  1  0.088  0.440  0.213  1.0
  O  O17  1  0.037  0.097  0.747  1.0
  O  O18  1  0.213  0.091  0.321  1.0
  O  O19  1  0.049  0.257  0.039  1.0
  O  O20  1  0.230  0.542  0.622  1.0
  O  O21  1  0.256  0.273  0.496  1.0
  O  O22  1  0.277  0.963  0.104  1.0
  O  O23  1  0.241  0.561  0.915  1.0
  O  O24  1  0.310  0.913  0.691  1.0
  O  O25  1  0.450  0.366  0.227  1.0
  O  O26  1  0.383  0.156  0.798  1.0
  O  O27  1  0.530  0.219  0.024  1.0
  O  O28  1  0.470  0.781  0.976  1.0
  O  O29  1  0.617  0.844  0.202  1.0
  O  O30  1  0.550  0.634  0.773  1.0
  O  O31  1  0.690  0.087  0.309  1.0
  O  O32  1  0.759  0.439  0.085  1.0
  O  O33  1  0.723  0.037  0.896  1.0
  O  O34  1  0.744  0.727  0.504  1.0
  O  O35  1  0.770  0.458  0.378  1.0
  O  O36  1  0.951  0.743  0.961  1.0
  O  O37  1  0.787  0.909  0.679  1.0
  O  O38  1  0.963  0.903  0.253  1.0
  O  O39  1  0.912  0.560  0.787  1.0
[/CIF]
.