The crystal structure described by Li2VCrP2(HO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-54°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   7.397
_cell_length_c   5.166
_cell_angle_alpha   109.027
_cell_angle_beta   97.887
_cell_angle_gamma   106.647
_symmetry_Int_Tables_number   1
_cell_volume   181.631
_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
  Li  Li0  1  0.397  0.823  0.747  1.0
  Li  Li1  1  0.603  0.177  0.253  1.0
  V  V2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  P  P4  1  0.358  0.230  0.675  1.0
  P  P5  1  0.642  0.770  0.325  1.0
  H  H6  1  0.060  0.337  0.360  1.0
  H  H7  1  0.940  0.663  0.640  1.0
  O  O8  1  0.050  0.728  0.838  1.0
  O  O9  1  0.205  0.380  0.724  1.0
  O  O10  1  0.345  0.659  0.304  1.0
  O  O11  1  0.250  0.069  0.367  1.0
  O  O12  1  0.337  0.119  0.886  1.0
  O  O13  1  0.663  0.881  0.114  1.0
  O  O14  1  0.750  0.931  0.633  1.0
  O  O15  1  0.655  0.341  0.696  1.0
  O  O16  1  0.795  0.620  0.276  1.0
  O  O17  1  0.950  0.272  0.162  1.0
[/CIF]
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The crystal structure described by Li2VCrP2(HO5)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-54°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   7.397
_cell_length_c   5.166
_cell_angle_alpha   109.027
_cell_angle_beta   97.887
_cell_angle_gamma   106.647
_symmetry_Int_Tables_number   1
_cell_volume   181.631
_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
  Li  Li0  1  0.397  0.823  0.747  1.0
  Li  Li1  1  0.603  0.177  0.253  1.0
  V  V2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  1.000  1.000  1.000  1.0
  P  P4  1  0.358  0.230  0.675  1.0
  P  P5  1  0.642  0.770  0.325  1.0
  H  H6  1  0.060  0.337  0.360  1.0
  H  H7  1  0.940  0.663  0.640  1.0
  O  O8  1  0.050  0.728  0.838  1.0
  O  O9  1  0.205  0.380  0.724  1.0
  O  O10  1  0.345  0.659  0.304  1.0
  O  O11  1  0.250  0.069  0.367  1.0
  O  O12  1  0.337  0.119  0.886  1.0
  O  O13  1  0.663  0.881  0.114  1.0
  O  O14  1  0.750  0.931  0.633  1.0
  O  O15  1  0.655  0.341  0.696  1.0
  O  O16  1  0.795  0.620  0.276  1.0
  O  O17  1  0.950  0.272  0.162  1.0
[/CIF]
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