The crystal structure described by Li2V2Cr(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. Cr(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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 V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(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 V(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one V(2), one Cr(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one V(2), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one V(2), 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(1), one V(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li2V2Cr(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.680
_cell_length_b   8.680
_cell_length_c   8.452
_cell_angle_alpha   63.204
_cell_angle_beta   63.204
_cell_angle_gamma   62.420
_symmetry_Int_Tables_number   1
_cell_volume   479.641
_cell_formula_units_Z   2
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  0.858  0.142  0.000  1.0
  Li  Li1  1  0.160  0.840  0.500  1.0
  Li  Li2  1  0.746  0.655  0.103  1.0
  Li  Li3  1  0.345  0.254  0.897  1.0
  V  V4  1  0.645  0.145  0.396  1.0
  V  V5  1  0.151  0.649  0.899  1.0
  V  V6  1  0.855  0.355  0.604  1.0
  V  V7  1  0.351  0.849  0.101  1.0
  Cr  Cr8  1  0.996  0.505  0.745  1.0
  Cr  Cr9  1  0.495  0.004  0.255  1.0
  P  P10  1  0.253  0.056  0.684  1.0
  P  P11  1  0.944  0.747  0.316  1.0
  P  P12  1  0.559  0.441  0.000  1.0
  P  P13  1  0.460  0.540  0.500  1.0
  P  P14  1  0.038  0.249  0.195  1.0
  P  P15  1  0.751  0.962  0.805  1.0
  O  O16  1  0.100  0.802  0.292  1.0
  O  O17  1  0.535  0.596  0.057  1.0
  O  O18  1  0.311  0.032  0.843  1.0
  O  O19  1  0.088  0.243  0.674  1.0
  O  O20  1  0.198  0.900  0.708  1.0
  O  O21  1  0.407  0.080  0.491  1.0
  O  O22  1  0.920  0.593  0.509  1.0
  O  O23  1  0.757  0.912  0.326  1.0
  O  O24  1  0.611  0.499  0.573  1.0
  O  O25  1  0.588  0.245  0.151  1.0
  O  O26  1  0.267  0.559  0.652  1.0
  O  O27  1  0.981  0.319  0.355  1.0
  O  O28  1  0.968  0.689  0.157  1.0
  O  O29  1  0.755  0.412  0.849  1.0
  O  O30  1  0.441  0.733  0.348  1.0
  O  O31  1  0.404  0.465  0.943  1.0
  O  O32  1  0.232  0.099  0.183  1.0
  O  O33  1  0.064  0.404  0.998  1.0
  O  O34  1  0.596  0.936  0.002  1.0
  O  O35  1  0.817  0.107  0.786  1.0
  O  O36  1  0.901  0.768  0.817  1.0
  O  O37  1  0.681  0.019  0.645  1.0
  O  O38  1  0.501  0.389  0.427  1.0
  O  O39  1  0.893  0.183  0.214  1.0
[/CIF]
.
The crystal structure described by Li2V2Cr(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. Cr(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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 V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(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 V(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one V(2), one Cr(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one V(2), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one V(2), 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(1), one V(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Li2V2Cr(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.680
_cell_length_b   8.680
_cell_length_c   8.452
_cell_angle_alpha   63.204
_cell_angle_beta   63.204
_cell_angle_gamma   62.420
_symmetry_Int_Tables_number   1
_cell_volume   479.641
_cell_formula_units_Z   2
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  0.858  0.142  0.000  1.0
  Li  Li1  1  0.160  0.840  0.500  1.0
  Li  Li2  1  0.746  0.655  0.103  1.0
  Li  Li3  1  0.345  0.254  0.897  1.0
  V  V4  1  0.645  0.145  0.396  1.0
  V  V5  1  0.151  0.649  0.899  1.0
  V  V6  1  0.855  0.355  0.604  1.0
  V  V7  1  0.351  0.849  0.101  1.0
  Cr  Cr8  1  0.996  0.505  0.745  1.0
  Cr  Cr9  1  0.495  0.004  0.255  1.0
  P  P10  1  0.253  0.056  0.684  1.0
  P  P11  1  0.944  0.747  0.316  1.0
  P  P12  1  0.559  0.441  0.000  1.0
  P  P13  1  0.460  0.540  0.500  1.0
  P  P14  1  0.038  0.249  0.195  1.0
  P  P15  1  0.751  0.962  0.805  1.0
  O  O16  1  0.100  0.802  0.292  1.0
  O  O17  1  0.535  0.596  0.057  1.0
  O  O18  1  0.311  0.032  0.843  1.0
  O  O19  1  0.088  0.243  0.674  1.0
  O  O20  1  0.198  0.900  0.708  1.0
  O  O21  1  0.407  0.080  0.491  1.0
  O  O22  1  0.920  0.593  0.509  1.0
  O  O23  1  0.757  0.912  0.326  1.0
  O  O24  1  0.611  0.499  0.573  1.0
  O  O25  1  0.588  0.245  0.151  1.0
  O  O26  1  0.267  0.559  0.652  1.0
  O  O27  1  0.981  0.319  0.355  1.0
  O  O28  1  0.968  0.689  0.157  1.0
  O  O29  1  0.755  0.412  0.849  1.0
  O  O30  1  0.441  0.733  0.348  1.0
  O  O31  1  0.404  0.465  0.943  1.0
  O  O32  1  0.232  0.099  0.183  1.0
  O  O33  1  0.064  0.404  0.998  1.0
  O  O34  1  0.596  0.936  0.002  1.0
  O  O35  1  0.817  0.107  0.786  1.0
  O  O36  1  0.901  0.768  0.817  1.0
  O  O37  1  0.681  0.019  0.645  1.0
  O  O38  1  0.501  0.389  0.427  1.0
  O  O39  1  0.893  0.183  0.214  1.0
[/CIF]
.