The structure described by LiVCrP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the second Li site, Li(2) is bonded to one O(12), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(20), one O(22), one O(26), one O(28), and one O(30) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(17), one O(21), one O(28), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(19), one O(20), one O(27), and one O(3) atom to form VO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(2), one O(23), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(18), one O(19), one O(24), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the second Cr site, Cr(2) is bonded to one O(12), one O(13), one O(22), one O(23), one O(26), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(20), one O(25), one O(30), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(2), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the second P site, P(2) is bonded to one O(10), one O(17), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the third P site, P(3) is bonded to one O(15), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth P site, P(4) is bonded to one O(16), one O(22), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(14), one O(21), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the sixth P site, P(6) is bonded to one O(13), one O(29), one O(30), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(20) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(19) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(23) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(3), 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(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(3), one Cr(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(3), and one H(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Cr(2), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one H(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(3), one V(2), one Cr(3), and one H(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one V(3), one Cr(2), and one H(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one V(3) and one P(6) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   7.441
_cell_length_c   11.020
_cell_angle_alpha   98.670
_cell_angle_beta   107.200
_cell_angle_gamma   89.381
_symmetry_Int_Tables_number   1
_cell_volume   532.861
_cell_formula_units_Z   3
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  0.250  0.312  0.160  1.0
  Li  Li1  1  0.084  0.352  0.506  1.0
  Li  Li2  1  0.750  0.689  0.840  1.0
  V  V3  1  0.170  0.332  0.835  1.0
  V  V4  1  0.828  0.665  0.167  1.0
  V  V5  1  0.503  0.999  0.501  1.0
  Cr  Cr6  1  0.666  0.332  0.333  1.0
  Cr  Cr7  1  0.332  0.669  0.665  1.0
  Cr  Cr8  1  1.000  0.999  1.000  1.0
  P  P9  1  0.053  0.073  0.300  1.0
  P  P10  1  0.616  0.257  0.032  1.0
  P  P11  1  0.280  0.593  0.365  1.0
  P  P12  1  0.719  0.406  0.635  1.0
  P  P13  1  0.384  0.742  0.966  1.0
  P  P14  1  0.949  0.924  0.700  1.0
  H  H15  1  0.044  0.672  0.017  1.0
  H  H16  1  0.691  0.001  0.339  1.0
  H  H17  1  0.377  0.338  0.682  1.0
  H  H18  1  0.642  0.665  0.329  1.0
  H  H19  1  0.307  0.999  0.660  1.0
  H  H20  1  0.955  0.328  0.983  1.0
  O  O21  1  0.140  0.077  0.188  1.0
  O  O22  1  0.228  0.088  0.430  1.0
  O  O23  1  0.105  0.580  0.236  1.0
  O  O24  1  0.086  0.100  0.718  1.0
  O  O25  1  0.523  0.271  0.144  1.0
  O  O26  1  0.737  0.087  0.021  1.0
  O  O27  1  0.193  0.588  0.478  1.0
  O  O28  1  0.599  0.087  0.369  1.0
  O  O29  1  0.400  0.421  0.346  1.0
  O  O30  1  0.759  0.429  0.048  1.0
  O  O31  1  0.070  0.252  0.972  1.0
  O  O32  1  0.262  0.413  0.694  1.0
  O  O33  1  0.073  0.756  0.686  1.0
  O  O34  1  0.563  0.745  0.093  1.0
  O  O35  1  0.421  0.765  0.384  1.0
  O  O36  1  0.574  0.238  0.618  1.0
  O  O37  1  0.437  0.255  0.905  1.0
  O  O38  1  0.932  0.245  0.319  1.0
  O  O39  1  0.733  0.579  0.297  1.0
  O  O40  1  0.929  0.747  0.028  1.0
  O  O41  1  0.242  0.569  0.951  1.0
  O  O42  1  0.602  0.580  0.652  1.0
  O  O43  1  0.398  0.913  0.629  1.0
  O  O44  1  0.810  0.396  0.523  1.0
  O  O45  1  0.262  0.911  0.978  1.0
  O  O46  1  0.476  0.727  0.854  1.0
  O  O47  1  0.914  0.900  0.282  1.0
  O  O48  1  0.895  0.419  0.764  1.0
  O  O49  1  0.771  0.921  0.574  1.0
  O  O50  1  0.859  0.924  0.812  1.0
[/CIF]
.
The structure described by LiVCrP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the second Li site, Li(2) is bonded to one O(12), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(20), one O(22), one O(26), one O(28), and one O(30) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(17), one O(21), one O(28), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(10), one O(14), one O(19), one O(20), one O(27), and one O(3) atom to form VO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(2), one O(23), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(18), one O(19), one O(24), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the second Cr site, Cr(2) is bonded to one O(12), one O(13), one O(22), one O(23), one O(26), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-49°. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(20), one O(25), one O(30), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(18), one O(2), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the second P site, P(2) is bonded to one O(10), one O(17), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the third P site, P(3) is bonded to one O(15), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth P site, P(4) is bonded to one O(16), one O(22), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-52°. In the fifth P site, P(5) is bonded to one O(14), one O(21), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the sixth P site, P(6) is bonded to one O(13), one O(29), one O(30), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(20) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(19) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(23) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(3), 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(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(3), one Cr(1), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one V(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Cr(3), and one H(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Cr(2), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one H(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(3), one V(2), one Cr(3), and one H(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one V(3), one Cr(2), and one H(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one V(3) and one P(6) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   7.441
_cell_length_c   11.020
_cell_angle_alpha   98.670
_cell_angle_beta   107.200
_cell_angle_gamma   89.381
_symmetry_Int_Tables_number   1
_cell_volume   532.861
_cell_formula_units_Z   3
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  0.250  0.312  0.160  1.0
  Li  Li1  1  0.084  0.352  0.506  1.0
  Li  Li2  1  0.750  0.689  0.840  1.0
  V  V3  1  0.170  0.332  0.835  1.0
  V  V4  1  0.828  0.665  0.167  1.0
  V  V5  1  0.503  0.999  0.501  1.0
  Cr  Cr6  1  0.666  0.332  0.333  1.0
  Cr  Cr7  1  0.332  0.669  0.665  1.0
  Cr  Cr8  1  1.000  0.999  1.000  1.0
  P  P9  1  0.053  0.073  0.300  1.0
  P  P10  1  0.616  0.257  0.032  1.0
  P  P11  1  0.280  0.593  0.365  1.0
  P  P12  1  0.719  0.406  0.635  1.0
  P  P13  1  0.384  0.742  0.966  1.0
  P  P14  1  0.949  0.924  0.700  1.0
  H  H15  1  0.044  0.672  0.017  1.0
  H  H16  1  0.691  0.001  0.339  1.0
  H  H17  1  0.377  0.338  0.682  1.0
  H  H18  1  0.642  0.665  0.329  1.0
  H  H19  1  0.307  0.999  0.660  1.0
  H  H20  1  0.955  0.328  0.983  1.0
  O  O21  1  0.140  0.077  0.188  1.0
  O  O22  1  0.228  0.088  0.430  1.0
  O  O23  1  0.105  0.580  0.236  1.0
  O  O24  1  0.086  0.100  0.718  1.0
  O  O25  1  0.523  0.271  0.144  1.0
  O  O26  1  0.737  0.087  0.021  1.0
  O  O27  1  0.193  0.588  0.478  1.0
  O  O28  1  0.599  0.087  0.369  1.0
  O  O29  1  0.400  0.421  0.346  1.0
  O  O30  1  0.759  0.429  0.048  1.0
  O  O31  1  0.070  0.252  0.972  1.0
  O  O32  1  0.262  0.413  0.694  1.0
  O  O33  1  0.073  0.756  0.686  1.0
  O  O34  1  0.563  0.745  0.093  1.0
  O  O35  1  0.421  0.765  0.384  1.0
  O  O36  1  0.574  0.238  0.618  1.0
  O  O37  1  0.437  0.255  0.905  1.0
  O  O38  1  0.932  0.245  0.319  1.0
  O  O39  1  0.733  0.579  0.297  1.0
  O  O40  1  0.929  0.747  0.028  1.0
  O  O41  1  0.242  0.569  0.951  1.0
  O  O42  1  0.602  0.580  0.652  1.0
  O  O43  1  0.398  0.913  0.629  1.0
  O  O44  1  0.810  0.396  0.523  1.0
  O  O45  1  0.262  0.911  0.978  1.0
  O  O46  1  0.476  0.727  0.854  1.0
  O  O47  1  0.914  0.900  0.282  1.0
  O  O48  1  0.895  0.419  0.764  1.0
  O  O49  1  0.771  0.921  0.574  1.0
  O  O50  1  0.859  0.924  0.812  1.0
[/CIF]
.