The structure described by Li6V3Cr(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Cr(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form CrO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) 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(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), and one P(4) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one V(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Cr(1), and one P(5) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(6), one V(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Cr(1), and one P(6) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one V(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6V3Cr(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.617
_cell_length_b   8.644
_cell_length_c   8.653
_cell_angle_alpha   61.357
_cell_angle_beta   61.286
_cell_angle_gamma   61.279
_symmetry_Int_Tables_number   1
_cell_volume   469.116
_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  0.974  0.003  0.993  1.0
  Li  Li1  1  0.250  0.650  0.849  1.0
  Li  Li2  1  0.525  0.507  0.499  1.0
  Li  Li3  1  0.759  0.348  0.149  1.0
  Li  Li4  1  0.345  0.154  0.756  1.0
  Li  Li5  1  0.153  0.756  0.345  1.0
  V  V6  1  0.857  0.862  0.855  1.0
  V  V7  1  0.644  0.645  0.637  1.0
  V  V8  1  0.354  0.355  0.354  1.0
  Cr  Cr9  1  0.145  0.145  0.146  1.0
  P  P10  1  0.953  0.547  0.249  1.0
  P  P11  1  0.545  0.252  0.950  1.0
  P  P12  1  0.251  0.954  0.544  1.0
  P  P13  1  0.752  0.042  0.456  1.0
  P  P14  1  0.456  0.751  0.038  1.0
  P  P15  1  0.044  0.461  0.753  1.0
  O  O16  1  0.874  0.498  0.713  1.0
  O  O17  1  0.702  0.881  0.487  1.0
  O  O18  1  0.958  0.727  0.078  1.0
  O  O19  1  0.471  0.705  0.878  1.0
  O  O20  1  0.762  0.572  0.406  1.0
  O  O21  1  0.981  0.384  0.198  1.0
  O  O22  1  0.736  0.094  0.928  1.0
  O  O23  1  0.545  0.423  0.768  1.0
  O  O24  1  0.406  0.760  0.568  1.0
  O  O25  1  0.798  0.014  0.618  1.0
  O  O26  1  0.915  0.064  0.264  1.0
  O  O27  1  0.627  0.789  0.001  1.0
  O  O28  1  0.385  0.194  0.983  1.0
  O  O29  1  0.093  0.931  0.738  1.0
  O  O30  1  0.195  0.984  0.385  1.0
  O  O31  1  0.592  0.236  0.427  1.0
  O  O32  1  0.428  0.593  0.230  1.0
  O  O33  1  0.267  0.917  0.062  1.0
  O  O34  1  0.027  0.621  0.799  1.0
  O  O35  1  0.235  0.432  0.592  1.0
  O  O36  1  0.514  0.306  0.111  1.0
  O  O37  1  0.064  0.270  0.916  1.0
  O  O38  1  0.306  0.112  0.515  1.0
  O  O39  1  0.111  0.509  0.313  1.0
[/CIF]
.
The structure described by Li6V3Cr(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Cr(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form CrO6 octahedra that share  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,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) 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 V(3)O6 octahedra, and  a cornercorner with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) 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(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), and one P(4) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one V(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Cr(1), and one P(5) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(6), one V(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Cr(1), and one P(6) atom to form distorted face-sharing OLi3CrP trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one V(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6V3Cr(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.617
_cell_length_b   8.644
_cell_length_c   8.653
_cell_angle_alpha   61.357
_cell_angle_beta   61.286
_cell_angle_gamma   61.279
_symmetry_Int_Tables_number   1
_cell_volume   469.116
_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  0.974  0.003  0.993  1.0
  Li  Li1  1  0.250  0.650  0.849  1.0
  Li  Li2  1  0.525  0.507  0.499  1.0
  Li  Li3  1  0.759  0.348  0.149  1.0
  Li  Li4  1  0.345  0.154  0.756  1.0
  Li  Li5  1  0.153  0.756  0.345  1.0
  V  V6  1  0.857  0.862  0.855  1.0
  V  V7  1  0.644  0.645  0.637  1.0
  V  V8  1  0.354  0.355  0.354  1.0
  Cr  Cr9  1  0.145  0.145  0.146  1.0
  P  P10  1  0.953  0.547  0.249  1.0
  P  P11  1  0.545  0.252  0.950  1.0
  P  P12  1  0.251  0.954  0.544  1.0
  P  P13  1  0.752  0.042  0.456  1.0
  P  P14  1  0.456  0.751  0.038  1.0
  P  P15  1  0.044  0.461  0.753  1.0
  O  O16  1  0.874  0.498  0.713  1.0
  O  O17  1  0.702  0.881  0.487  1.0
  O  O18  1  0.958  0.727  0.078  1.0
  O  O19  1  0.471  0.705  0.878  1.0
  O  O20  1  0.762  0.572  0.406  1.0
  O  O21  1  0.981  0.384  0.198  1.0
  O  O22  1  0.736  0.094  0.928  1.0
  O  O23  1  0.545  0.423  0.768  1.0
  O  O24  1  0.406  0.760  0.568  1.0
  O  O25  1  0.798  0.014  0.618  1.0
  O  O26  1  0.915  0.064  0.264  1.0
  O  O27  1  0.627  0.789  0.001  1.0
  O  O28  1  0.385  0.194  0.983  1.0
  O  O29  1  0.093  0.931  0.738  1.0
  O  O30  1  0.195  0.984  0.385  1.0
  O  O31  1  0.592  0.236  0.427  1.0
  O  O32  1  0.428  0.593  0.230  1.0
  O  O33  1  0.267  0.917  0.062  1.0
  O  O34  1  0.027  0.621  0.799  1.0
  O  O35  1  0.235  0.432  0.592  1.0
  O  O36  1  0.514  0.306  0.111  1.0
  O  O37  1  0.064  0.270  0.916  1.0
  O  O38  1  0.306  0.112  0.515  1.0
  O  O39  1  0.111  0.509  0.313  1.0
[/CIF]
.