The material described by Li2VCrP2(HO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Cr(2)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 52-63°. In the third Li site, Li(3) is bonded to one O(1), one O(15), one O(5), and two equivalent O(10) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with four equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(3), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(3)O5 square pyramids, and corners with four equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-54°. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. There are three 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(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Cr(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(1), one V(2), one Cr(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(1), one Cr(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(2), one Cr(2), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   7.374
_cell_length_c   14.309
_cell_angle_alpha   86.611
_cell_angle_beta   84.807
_cell_angle_gamma   106.288
_symmetry_Int_Tables_number   1
_cell_volume   544.536
_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  0.149  0.574  0.249  1.0
  Li  Li1  1  0.184  0.759  0.418  1.0
  Li  Li2  1  0.482  0.907  0.916  1.0
  Li  Li3  1  0.518  0.093  0.084  1.0
  Li  Li4  1  0.816  0.241  0.582  1.0
  Li  Li5  1  0.851  0.426  0.751  1.0
  V  V6  1  0.000  0.000  0.000  1.0
  V  V7  1  0.333  0.833  0.666  1.0
  V  V8  1  0.667  0.167  0.334  1.0
  Cr  Cr9  1  0.000  0.500  0.000  1.0
  Cr  Cr10  1  0.334  0.333  0.667  1.0
  Cr  Cr11  1  0.666  0.667  0.333  1.0
  P  P12  1  0.200  0.327  0.442  1.0
  P  P13  1  0.135  0.006  0.226  1.0
  P  P14  1  0.531  0.659  0.108  1.0
  P  P15  1  0.469  0.341  0.892  1.0
  P  P16  1  0.865  0.994  0.774  1.0
  P  P17  1  0.800  0.673  0.558  1.0
  H  H18  1  0.061  0.779  0.880  1.0
  H  H19  1  0.272  0.551  0.786  1.0
  H  H20  1  0.606  0.884  0.453  1.0
  H  H21  1  0.394  0.116  0.547  1.0
  H  H22  1  0.728  0.449  0.214  1.0
  H  H23  1  0.939  0.221  0.120  1.0
  O  O24  1  0.129  0.949  0.124  1.0
  O  O25  1  0.043  0.824  0.296  1.0
  O  O26  1  0.040  0.862  0.758  1.0
  O  O27  1  0.088  0.776  0.564  1.0
  O  O28  1  0.101  0.776  0.946  1.0
  O  O29  1  0.241  0.557  0.102  1.0
  O  O30  1  0.290  0.509  0.371  1.0
  O  O31  1  0.207  0.385  0.544  1.0
  O  O32  1  0.228  0.553  0.721  1.0
  O  O33  1  0.622  0.842  0.038  1.0
  O  O34  1  0.537  0.717  0.210  1.0
  O  O35  1  0.562  0.886  0.387  1.0
  O  O36  1  0.295  0.472  0.909  1.0
  O  O37  1  0.374  0.195  0.425  1.0
  O  O38  1  0.578  0.890  0.768  1.0
  O  O39  1  0.422  0.110  0.232  1.0
  O  O40  1  0.626  0.805  0.575  1.0
  O  O41  1  0.705  0.528  0.091  1.0
  O  O42  1  0.438  0.114  0.613  1.0
  O  O43  1  0.463  0.283  0.790  1.0
  O  O44  1  0.378  0.158  0.962  1.0
  O  O45  1  0.772  0.447  0.279  1.0
  O  O46  1  0.793  0.615  0.456  1.0
  O  O47  1  0.710  0.491  0.629  1.0
  O  O48  1  0.759  0.443  0.898  1.0
  O  O49  1  0.899  0.224  0.054  1.0
  O  O50  1  0.912  0.224  0.436  1.0
  O  O51  1  0.960  0.138  0.242  1.0
  O  O52  1  0.957  0.176  0.704  1.0
  O  O53  1  0.871  0.051  0.876  1.0
[/CIF]
.
The material described by Li2VCrP2(HO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Cr(2)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 52-63°. In the third Li site, Li(3) is bonded to one O(1), one O(15), one O(5), and two equivalent O(10) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with four equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(3), one O(4), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(3)O5 square pyramids, and corners with four equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-54°. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. There are three 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(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3), one V(1), one Cr(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(2), one Cr(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(1), one V(2), one Cr(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Li(1), one Cr(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(2), one V(2), one Cr(2), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VCrP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   7.374
_cell_length_c   14.309
_cell_angle_alpha   86.611
_cell_angle_beta   84.807
_cell_angle_gamma   106.288
_symmetry_Int_Tables_number   1
_cell_volume   544.536
_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  0.149  0.574  0.249  1.0
  Li  Li1  1  0.184  0.759  0.418  1.0
  Li  Li2  1  0.482  0.907  0.916  1.0
  Li  Li3  1  0.518  0.093  0.084  1.0
  Li  Li4  1  0.816  0.241  0.582  1.0
  Li  Li5  1  0.851  0.426  0.751  1.0
  V  V6  1  0.000  0.000  0.000  1.0
  V  V7  1  0.333  0.833  0.666  1.0
  V  V8  1  0.667  0.167  0.334  1.0
  Cr  Cr9  1  0.000  0.500  0.000  1.0
  Cr  Cr10  1  0.334  0.333  0.667  1.0
  Cr  Cr11  1  0.666  0.667  0.333  1.0
  P  P12  1  0.200  0.327  0.442  1.0
  P  P13  1  0.135  0.006  0.226  1.0
  P  P14  1  0.531  0.659  0.108  1.0
  P  P15  1  0.469  0.341  0.892  1.0
  P  P16  1  0.865  0.994  0.774  1.0
  P  P17  1  0.800  0.673  0.558  1.0
  H  H18  1  0.061  0.779  0.880  1.0
  H  H19  1  0.272  0.551  0.786  1.0
  H  H20  1  0.606  0.884  0.453  1.0
  H  H21  1  0.394  0.116  0.547  1.0
  H  H22  1  0.728  0.449  0.214  1.0
  H  H23  1  0.939  0.221  0.120  1.0
  O  O24  1  0.129  0.949  0.124  1.0
  O  O25  1  0.043  0.824  0.296  1.0
  O  O26  1  0.040  0.862  0.758  1.0
  O  O27  1  0.088  0.776  0.564  1.0
  O  O28  1  0.101  0.776  0.946  1.0
  O  O29  1  0.241  0.557  0.102  1.0
  O  O30  1  0.290  0.509  0.371  1.0
  O  O31  1  0.207  0.385  0.544  1.0
  O  O32  1  0.228  0.553  0.721  1.0
  O  O33  1  0.622  0.842  0.038  1.0
  O  O34  1  0.537  0.717  0.210  1.0
  O  O35  1  0.562  0.886  0.387  1.0
  O  O36  1  0.295  0.472  0.909  1.0
  O  O37  1  0.374  0.195  0.425  1.0
  O  O38  1  0.578  0.890  0.768  1.0
  O  O39  1  0.422  0.110  0.232  1.0
  O  O40  1  0.626  0.805  0.575  1.0
  O  O41  1  0.705  0.528  0.091  1.0
  O  O42  1  0.438  0.114  0.613  1.0
  O  O43  1  0.463  0.283  0.790  1.0
  O  O44  1  0.378  0.158  0.962  1.0
  O  O45  1  0.772  0.447  0.279  1.0
  O  O46  1  0.793  0.615  0.456  1.0
  O  O47  1  0.710  0.491  0.629  1.0
  O  O48  1  0.759  0.443  0.898  1.0
  O  O49  1  0.899  0.224  0.054  1.0
  O  O50  1  0.912  0.224  0.436  1.0
  O  O51  1  0.960  0.138  0.242  1.0
  O  O52  1  0.957  0.176  0.704  1.0
  O  O53  1  0.871  0.051  0.876  1.0
[/CIF]
.