The compound described by LiVPO4OH crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. 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(6) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one V(2), and one H(1) atom. In the eighth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one V(1), and one H(2) atom. In the ninth O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.442
_cell_length_b   6.211
_cell_length_c   6.580
_cell_angle_alpha   75.553
_cell_angle_beta   76.469
_cell_angle_gamma   103.881
_symmetry_Int_Tables_number   1
_cell_volume   198.624
_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
  H  H0  1  0.334  0.054  0.166  1.0
  H  H1  1  0.666  0.946  0.834  1.0
  Li  Li2  1  1.000  1.000  0.500  1.0
  Li  Li3  1  0.000  1.000  1.000  1.0
  O  O4  1  0.351  0.321  0.359  1.0
  O  O5  1  0.649  0.679  0.641  1.0
  O  O6  1  0.744  0.349  0.044  1.0
  O  O7  1  0.256  0.651  0.956  1.0
  O  O8  1  0.176  0.916  0.243  1.0
  O  O9  1  0.824  0.084  0.757  1.0
  O  O10  1  0.168  0.586  0.615  1.0
  O  O11  1  0.832  0.414  0.385  1.0
  O  O12  1  0.334  0.290  0.847  1.0
  O  O13  1  0.666  0.710  0.153  1.0
  P  P14  1  0.654  0.449  0.230  1.0
  P  P15  1  0.346  0.551  0.770  1.0
  V  V16  1  0.241  0.616  0.273  1.0
  V  V17  1  0.759  0.384  0.727  1.0
[/CIF]
.
The compound described by LiVPO4OH crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. 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(6) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one V(2), and one H(1) atom. In the eighth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), one Li(2), one V(1), and one H(2) atom. In the ninth O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.442
_cell_length_b   6.211
_cell_length_c   6.580
_cell_angle_alpha   75.553
_cell_angle_beta   76.469
_cell_angle_gamma   103.881
_symmetry_Int_Tables_number   1
_cell_volume   198.624
_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
  H  H0  1  0.334  0.054  0.166  1.0
  H  H1  1  0.666  0.946  0.834  1.0
  Li  Li2  1  1.000  1.000  0.500  1.0
  Li  Li3  1  0.000  1.000  1.000  1.0
  O  O4  1  0.351  0.321  0.359  1.0
  O  O5  1  0.649  0.679  0.641  1.0
  O  O6  1  0.744  0.349  0.044  1.0
  O  O7  1  0.256  0.651  0.956  1.0
  O  O8  1  0.176  0.916  0.243  1.0
  O  O9  1  0.824  0.084  0.757  1.0
  O  O10  1  0.168  0.586  0.615  1.0
  O  O11  1  0.832  0.414  0.385  1.0
  O  O12  1  0.334  0.290  0.847  1.0
  O  O13  1  0.666  0.710  0.153  1.0
  P  P14  1  0.654  0.449  0.230  1.0
  P  P15  1  0.346  0.551  0.770  1.0
  V  V16  1  0.241  0.616  0.273  1.0
  V  V17  1  0.759  0.384  0.727  1.0
[/CIF]
.