The material structure described by LiVCr(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)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 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 42-50°. 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, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. 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, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. 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, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to 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 bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1), one Cr(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   8.117
_cell_length_c   6.986
_cell_angle_alpha   90.172
_cell_angle_beta   107.143
_cell_angle_gamma   90.574
_symmetry_Int_Tables_number   1
_cell_volume   263.979
_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  0.840  0.364  0.330  1.0
  V  V1  1  0.218  0.508  0.729  1.0
  Cr  Cr2  1  0.790  0.999  0.274  1.0
  P  P3  1  0.398  0.179  0.518  1.0
  P  P4  1  0.221  0.779  0.092  1.0
  P  P5  1  0.769  0.281  0.906  1.0
  P  P6  1  0.607  0.684  0.478  1.0
  O  O7  1  0.024  0.339  0.834  1.0
  O  O8  1  0.138  0.677  0.897  1.0
  O  O9  1  0.177  0.042  0.467  1.0
  O  O10  1  0.256  0.350  0.516  1.0
  O  O11  1  0.419  0.664  0.620  1.0
  O  O12  1  0.577  0.430  0.917  1.0
  O  O13  1  0.587  0.149  0.748  1.0
  O  O14  1  0.404  0.644  0.256  1.0
  O  O15  1  0.412  0.928  0.089  1.0
  O  O16  1  0.606  0.186  0.391  1.0
  O  O17  1  0.727  0.857  0.488  1.0
  O  O18  1  0.837  0.549  0.515  1.0
  O  O19  1  0.867  0.196  0.107  1.0
  O  O20  1  0.951  0.818  0.149  1.0
[/CIF]
.
The material structure described by LiVCr(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) 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 P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)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 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 42-50°. 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, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. 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, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. 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, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to 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 bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1), one Cr(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   8.117
_cell_length_c   6.986
_cell_angle_alpha   90.172
_cell_angle_beta   107.143
_cell_angle_gamma   90.574
_symmetry_Int_Tables_number   1
_cell_volume   263.979
_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  0.840  0.364  0.330  1.0
  V  V1  1  0.218  0.508  0.729  1.0
  Cr  Cr2  1  0.790  0.999  0.274  1.0
  P  P3  1  0.398  0.179  0.518  1.0
  P  P4  1  0.221  0.779  0.092  1.0
  P  P5  1  0.769  0.281  0.906  1.0
  P  P6  1  0.607  0.684  0.478  1.0
  O  O7  1  0.024  0.339  0.834  1.0
  O  O8  1  0.138  0.677  0.897  1.0
  O  O9  1  0.177  0.042  0.467  1.0
  O  O10  1  0.256  0.350  0.516  1.0
  O  O11  1  0.419  0.664  0.620  1.0
  O  O12  1  0.577  0.430  0.917  1.0
  O  O13  1  0.587  0.149  0.748  1.0
  O  O14  1  0.404  0.644  0.256  1.0
  O  O15  1  0.412  0.928  0.089  1.0
  O  O16  1  0.606  0.186  0.391  1.0
  O  O17  1  0.727  0.857  0.488  1.0
  O  O18  1  0.837  0.549  0.515  1.0
  O  O19  1  0.867  0.196  0.107  1.0
  O  O20  1  0.951  0.818  0.149  1.0
[/CIF]
.