The material described by Li6VSn3(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 4-coordinate geometry to one O(14), one O(19), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom to form distorted LiO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(13), 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 5-coordinate geometry to one O(11), one O(15), one O(17), one O(18), and one O(24) atom. V(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 distorted 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. There are three inequivalent Sn sites. In the first Sn site, Sn(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 SnO6 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 Sn site, Sn(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 SnO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-50°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-42°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sn(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(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 Sn(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 Sn(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 V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Sn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sn(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 V(1), and one P(4) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a linear geometry to one Sn(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 V(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Sn(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 V(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Sn(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Sn(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 V(1), and one P(5) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Sn(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 Sn(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 V(1), and one P(6) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Sn(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 Sn(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6VSn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.632
_cell_length_c   8.649
_cell_angle_alpha   64.249
_cell_angle_beta   64.538
_cell_angle_gamma   64.411
_symmetry_Int_Tables_number   1
_cell_volume   498.065
_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  0.975  0.018  0.014  1.0
  Li  Li1  1  0.253  0.631  0.845  1.0
  Li  Li2  1  0.521  0.483  0.481  1.0
  Li  Li3  1  0.769  0.324  0.148  1.0
  Li  Li4  1  0.316  0.145  0.772  1.0
  Li  Li5  1  0.149  0.770  0.319  1.0
  V  V6  1  0.152  0.154  0.153  1.0
  Sn  Sn7  1  0.854  0.857  0.852  1.0
  Sn  Sn8  1  0.643  0.646  0.637  1.0
  Sn  Sn9  1  0.334  0.335  0.335  1.0
  P  P10  1  0.927  0.579  0.254  1.0
  P  P11  1  0.579  0.255  0.929  1.0
  P  P12  1  0.253  0.934  0.573  1.0
  P  P13  1  0.757  0.043  0.447  1.0
  P  P14  1  0.442  0.756  0.036  1.0
  P  P15  1  0.046  0.451  0.758  1.0
  O  O16  1  0.880  0.507  0.697  1.0
  O  O17  1  0.682  0.892  0.485  1.0
  O  O18  1  0.906  0.759  0.092  1.0
  O  O19  1  0.459  0.688  0.887  1.0
  O  O20  1  0.737  0.584  0.401  1.0
  O  O21  1  0.984  0.412  0.198  1.0
  O  O22  1  0.760  0.098  0.898  1.0
  O  O23  1  0.574  0.409  0.743  1.0
  O  O24  1  0.396  0.739  0.587  1.0
  O  O25  1  0.828  0.995  0.603  1.0
  O  O26  1  0.915  0.051  0.267  1.0
  O  O27  1  0.615  0.807  0.977  1.0
  O  O28  1  0.409  0.203  0.987  1.0
  O  O29  1  0.101  0.897  0.759  1.0
  O  O30  1  0.199  0.987  0.407  1.0
  O  O31  1  0.615  0.233  0.423  1.0
  O  O32  1  0.420  0.615  0.226  1.0
  O  O33  1  0.270  0.922  0.046  1.0
  O  O34  1  0.029  0.607  0.817  1.0
  O  O35  1  0.231  0.417  0.613  1.0
  O  O36  1  0.594  0.318  0.062  1.0
  O  O37  1  0.046  0.274  0.919  1.0
  O  O38  1  0.318  0.066  0.584  1.0
  O  O39  1  0.059  0.589  0.322  1.0
[/CIF]
.
The material described by Li6VSn3(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 4-coordinate geometry to one O(14), one O(19), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom to form distorted LiO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Sn(2)O6 octahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(13), 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 5-coordinate geometry to one O(11), one O(15), one O(17), one O(18), and one O(24) atom. V(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 distorted 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. There are three inequivalent Sn sites. In the first Sn site, Sn(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 SnO6 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 Sn site, Sn(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 SnO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-50°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-42°. 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 Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sn(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(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 Sn(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 Sn(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 V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Sn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sn(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 V(1), and one P(4) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the twelfth O site, O(12) is bonded in a linear geometry to one Sn(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 V(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Sn(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 V(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Sn(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Sn(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 V(1), and one P(5) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Sn(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 Sn(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 V(1), and one P(6) atom to form distorted face-sharing OLi3VP trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Sn(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 Sn(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6VSn3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.632
_cell_length_c   8.649
_cell_angle_alpha   64.249
_cell_angle_beta   64.538
_cell_angle_gamma   64.411
_symmetry_Int_Tables_number   1
_cell_volume   498.065
_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  0.975  0.018  0.014  1.0
  Li  Li1  1  0.253  0.631  0.845  1.0
  Li  Li2  1  0.521  0.483  0.481  1.0
  Li  Li3  1  0.769  0.324  0.148  1.0
  Li  Li4  1  0.316  0.145  0.772  1.0
  Li  Li5  1  0.149  0.770  0.319  1.0
  V  V6  1  0.152  0.154  0.153  1.0
  Sn  Sn7  1  0.854  0.857  0.852  1.0
  Sn  Sn8  1  0.643  0.646  0.637  1.0
  Sn  Sn9  1  0.334  0.335  0.335  1.0
  P  P10  1  0.927  0.579  0.254  1.0
  P  P11  1  0.579  0.255  0.929  1.0
  P  P12  1  0.253  0.934  0.573  1.0
  P  P13  1  0.757  0.043  0.447  1.0
  P  P14  1  0.442  0.756  0.036  1.0
  P  P15  1  0.046  0.451  0.758  1.0
  O  O16  1  0.880  0.507  0.697  1.0
  O  O17  1  0.682  0.892  0.485  1.0
  O  O18  1  0.906  0.759  0.092  1.0
  O  O19  1  0.459  0.688  0.887  1.0
  O  O20  1  0.737  0.584  0.401  1.0
  O  O21  1  0.984  0.412  0.198  1.0
  O  O22  1  0.760  0.098  0.898  1.0
  O  O23  1  0.574  0.409  0.743  1.0
  O  O24  1  0.396  0.739  0.587  1.0
  O  O25  1  0.828  0.995  0.603  1.0
  O  O26  1  0.915  0.051  0.267  1.0
  O  O27  1  0.615  0.807  0.977  1.0
  O  O28  1  0.409  0.203  0.987  1.0
  O  O29  1  0.101  0.897  0.759  1.0
  O  O30  1  0.199  0.987  0.407  1.0
  O  O31  1  0.615  0.233  0.423  1.0
  O  O32  1  0.420  0.615  0.226  1.0
  O  O33  1  0.270  0.922  0.046  1.0
  O  O34  1  0.029  0.607  0.817  1.0
  O  O35  1  0.231  0.417  0.613  1.0
  O  O36  1  0.594  0.318  0.062  1.0
  O  O37  1  0.046  0.274  0.919  1.0
  O  O38  1  0.318  0.066  0.584  1.0
  O  O39  1  0.059  0.589  0.322  1.0
[/CIF]
.