The crystal structure described by LiBaV2Ni3(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. Ba(1) is bonded in a 9-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one V(1), one Ni(1), and one Ni(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Li(1), two equivalent Ba(1), and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(2) atom. is represented by the CIF file [CIF]
data_BaLiV2Ni3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.971
_cell_length_b   5.950
_cell_length_c   8.304
_cell_angle_alpha   59.342
_cell_angle_beta   68.752
_cell_angle_gamma   59.866
_symmetry_Int_Tables_number   1
_cell_volume   217.238
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.113  0.299  0.477  1.0
  Li  Li1  1  0.822  0.680  0.692  1.0
  V  V2  1  0.537  0.181  0.745  1.0
  V  V3  1  0.453  0.834  0.255  1.0
  Ni  Ni4  1  0.992  0.022  0.994  1.0
  Ni  Ni5  1  0.990  0.504  0.013  1.0
  Ni  Ni6  1  0.495  0.505  0.010  1.0
  H  H7  1  0.258  0.745  0.737  1.0
  H  H8  1  0.765  0.175  0.292  1.0
  O  O9  1  0.170  0.318  0.806  1.0
  O  O10  1  0.708  0.319  0.804  1.0
  O  O11  1  0.799  0.710  0.202  1.0
  O  O12  1  0.286  0.712  0.199  1.0
  O  O13  1  0.660  0.793  0.892  1.0
  O  O14  1  0.319  0.209  0.153  1.0
  O  O15  1  0.367  0.758  0.493  1.0
  O  O16  1  0.668  0.133  0.530  1.0
  O  O17  1  0.192  0.757  0.861  1.0
  O  O18  1  0.801  0.243  0.152  1.0
[/CIF]
.
The crystal structure described by LiBaV2Ni3(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. Ba(1) is bonded in a 9-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-63°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1) and one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one V(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one V(1), one Ni(1), and one Ni(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(1), and one Ni(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Li(1), two equivalent Ba(1), and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Ni(3), and one H(2) atom. is represented by the CIF file [CIF]
data_BaLiV2Ni3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.971
_cell_length_b   5.950
_cell_length_c   8.304
_cell_angle_alpha   59.342
_cell_angle_beta   68.752
_cell_angle_gamma   59.866
_symmetry_Int_Tables_number   1
_cell_volume   217.238
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.113  0.299  0.477  1.0
  Li  Li1  1  0.822  0.680  0.692  1.0
  V  V2  1  0.537  0.181  0.745  1.0
  V  V3  1  0.453  0.834  0.255  1.0
  Ni  Ni4  1  0.992  0.022  0.994  1.0
  Ni  Ni5  1  0.990  0.504  0.013  1.0
  Ni  Ni6  1  0.495  0.505  0.010  1.0
  H  H7  1  0.258  0.745  0.737  1.0
  H  H8  1  0.765  0.175  0.292  1.0
  O  O9  1  0.170  0.318  0.806  1.0
  O  O10  1  0.708  0.319  0.804  1.0
  O  O11  1  0.799  0.710  0.202  1.0
  O  O12  1  0.286  0.712  0.199  1.0
  O  O13  1  0.660  0.793  0.892  1.0
  O  O14  1  0.319  0.209  0.153  1.0
  O  O15  1  0.367  0.758  0.493  1.0
  O  O16  1  0.668  0.133  0.530  1.0
  O  O17  1  0.192  0.757  0.861  1.0
  O  O18  1  0.801  0.243  0.152  1.0
[/CIF]
.