The crystal structure described by Li3VCr(P2O7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(11), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-76°. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(10), one O(12), one O(13), and one O(4) atom. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Cr(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-56°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3VCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.002
_cell_length_b   7.060
_cell_length_c   8.333
_cell_angle_alpha   89.507
_cell_angle_beta   90.416
_cell_angle_gamma   71.244
_symmetry_Int_Tables_number   1
_cell_volume   278.626
_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  0.176  0.342  0.859  1.0
  Li  Li1  1  0.726  0.092  0.661  1.0
  Li  Li2  1  0.825  0.664  0.353  1.0
  V  V3  1  0.207  0.276  0.492  1.0
  Cr  Cr4  1  0.787  0.725  0.004  1.0
  P  P5  1  0.396  0.480  0.179  1.0
  P  P6  1  0.212  0.909  0.795  1.0
  P  P7  1  0.782  0.083  0.281  1.0
  P  P8  1  0.608  0.524  0.685  1.0
  O  O9  1  0.040  0.145  0.308  1.0
  O  O10  1  0.130  0.109  0.703  1.0
  O  O11  1  0.189  0.527  0.034  1.0
  O  O12  1  0.243  0.508  0.339  1.0
  O  O13  1  0.447  0.371  0.691  1.0
  O  O14  1  0.623  0.074  0.437  1.0
  O  O15  1  0.567  0.245  0.157  1.0
  O  O16  1  0.378  0.745  0.665  1.0
  O  O17  1  0.404  0.906  0.938  1.0
  O  O18  1  0.612  0.594  0.173  1.0
  O  O19  1  0.768  0.517  0.844  1.0
  O  O20  1  0.799  0.501  0.541  1.0
  O  O21  1  0.843  0.884  0.191  1.0
  O  O22  1  0.932  0.873  0.833  1.0
[/CIF]
.
The crystal structure described by Li3VCr(P2O7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(11), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-76°. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(10), one O(12), one O(13), and one O(4) atom. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Cr(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-56°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one Cr(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3VCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.002
_cell_length_b   7.060
_cell_length_c   8.333
_cell_angle_alpha   89.507
_cell_angle_beta   90.416
_cell_angle_gamma   71.244
_symmetry_Int_Tables_number   1
_cell_volume   278.626
_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  0.176  0.342  0.859  1.0
  Li  Li1  1  0.726  0.092  0.661  1.0
  Li  Li2  1  0.825  0.664  0.353  1.0
  V  V3  1  0.207  0.276  0.492  1.0
  Cr  Cr4  1  0.787  0.725  0.004  1.0
  P  P5  1  0.396  0.480  0.179  1.0
  P  P6  1  0.212  0.909  0.795  1.0
  P  P7  1  0.782  0.083  0.281  1.0
  P  P8  1  0.608  0.524  0.685  1.0
  O  O9  1  0.040  0.145  0.308  1.0
  O  O10  1  0.130  0.109  0.703  1.0
  O  O11  1  0.189  0.527  0.034  1.0
  O  O12  1  0.243  0.508  0.339  1.0
  O  O13  1  0.447  0.371  0.691  1.0
  O  O14  1  0.623  0.074  0.437  1.0
  O  O15  1  0.567  0.245  0.157  1.0
  O  O16  1  0.378  0.745  0.665  1.0
  O  O17  1  0.404  0.906  0.938  1.0
  O  O18  1  0.612  0.594  0.173  1.0
  O  O19  1  0.768  0.517  0.844  1.0
  O  O20  1  0.799  0.501  0.541  1.0
  O  O21  1  0.843  0.884  0.191  1.0
  O  O22  1  0.932  0.873  0.833  1.0
[/CIF]
.