The material structure described by Li10Sn(PO6)2 is Hausmannite-derived structured and crystallizes in the tetragonal P4_2mc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Sn(1)O4 tetrahedra, and faces with four equivalent Li(4)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 trigonal pyramid, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 85°. Sn(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form SnO4 tetrahedra that share corners with eight equivalent Li(4)O4 trigonal pyramids and edges with two equivalent Li(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Li(4)O4 trigonal pyramids and edges with two equivalent Li(2)O6 octahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-40°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), two equivalent Li(4), and one P(1) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the second O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(4), and one Sn(1) atom. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted hexagonal planar geometry to one Li(3), two equivalent Li(1), two equivalent Li(4), and one Sn(1) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(4), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Sn(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.147
_cell_length_b   7.147
_cell_length_c   10.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.924
_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  0.200  0.267  0.294  1.0
  Li  Li1  1  0.800  0.733  0.294  1.0
  Li  Li2  1  0.267  0.800  0.794  1.0
  Li  Li3  1  0.733  0.200  0.794  1.0
  Li  Li4  1  0.200  0.733  0.294  1.0
  Li  Li5  1  0.800  0.267  0.294  1.0
  Li  Li6  1  0.267  0.200  0.794  1.0
  Li  Li7  1  0.733  0.800  0.794  1.0
  Li  Li8  1  0.000  0.000  0.931  1.0
  Li  Li9  1  0.000  0.000  0.431  1.0
  Li  Li10  1  0.500  0.500  0.559  1.0
  Li  Li11  1  0.500  0.500  0.059  1.0
  Li  Li12  1  0.233  0.691  0.050  1.0
  Li  Li13  1  0.767  0.309  0.050  1.0
  Li  Li14  1  0.309  0.233  0.550  1.0
  Li  Li15  1  0.691  0.767  0.550  1.0
  Li  Li16  1  0.309  0.767  0.550  1.0
  Li  Li17  1  0.691  0.233  0.550  1.0
  Li  Li18  1  0.233  0.309  0.050  1.0
  Li  Li19  1  0.767  0.691  0.050  1.0
  Sn  Sn20  1  0.500  0.500  0.810  1.0
  Sn  Sn21  1  0.500  0.500  0.310  1.0
  P  P22  1  0.000  0.000  0.678  1.0
  P  P23  1  0.000  0.000  0.178  1.0
  P  P24  1  0.000  0.500  0.493  1.0
  P  P25  1  0.500  0.000  0.993  1.0
  O  O26  1  0.000  0.683  0.411  1.0
  O  O27  1  0.000  0.317  0.411  1.0
  O  O28  1  0.317  0.000  0.911  1.0
  O  O29  1  0.683  0.000  0.911  1.0
  O  O30  1  0.500  0.186  0.068  1.0
  O  O31  1  0.500  0.814  0.068  1.0
  O  O32  1  0.186  0.500  0.568  1.0
  O  O33  1  0.814  0.500  0.568  1.0
  O  O34  1  0.000  0.823  0.094  1.0
  O  O35  1  0.000  0.177  0.094  1.0
  O  O36  1  0.177  0.000  0.594  1.0
  O  O37  1  0.823  0.000  0.594  1.0
  O  O38  1  0.500  0.286  0.424  1.0
  O  O39  1  0.500  0.714  0.424  1.0
  O  O40  1  0.286  0.500  0.924  1.0
  O  O41  1  0.714  0.500  0.924  1.0
  O  O42  1  0.000  0.173  0.765  1.0
  O  O43  1  0.000  0.827  0.765  1.0
  O  O44  1  0.827  0.000  0.265  1.0
  O  O45  1  0.173  0.000  0.265  1.0
  O  O46  1  0.500  0.721  0.698  1.0
  O  O47  1  0.500  0.279  0.698  1.0
  O  O48  1  0.721  0.500  0.198  1.0
  O  O49  1  0.279  0.500  0.198  1.0
[/CIF]
.
The material structure described by Li10Sn(PO6)2 is Hausmannite-derived structured and crystallizes in the tetragonal P4_2mc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids, and edges with two equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Sn(1)O4 tetrahedra, and faces with four equivalent Li(4)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Sn(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 trigonal pyramid, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles are 85°. Sn(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form SnO4 tetrahedra that share corners with eight equivalent Li(4)O4 trigonal pyramids and edges with two equivalent Li(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Li(4)O4 trigonal pyramids and edges with two equivalent Li(2)O6 octahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 34-40°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), two equivalent Li(4), and one P(1) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the second O site, O(4) is bonded in a 6-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(4), and one Sn(1) atom. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted hexagonal planar geometry to one Li(3), two equivalent Li(1), two equivalent Li(4), and one Sn(1) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(4), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Sn(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.147
_cell_length_b   7.147
_cell_length_c   10.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.924
_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  0.200  0.267  0.294  1.0
  Li  Li1  1  0.800  0.733  0.294  1.0
  Li  Li2  1  0.267  0.800  0.794  1.0
  Li  Li3  1  0.733  0.200  0.794  1.0
  Li  Li4  1  0.200  0.733  0.294  1.0
  Li  Li5  1  0.800  0.267  0.294  1.0
  Li  Li6  1  0.267  0.200  0.794  1.0
  Li  Li7  1  0.733  0.800  0.794  1.0
  Li  Li8  1  0.000  0.000  0.931  1.0
  Li  Li9  1  0.000  0.000  0.431  1.0
  Li  Li10  1  0.500  0.500  0.559  1.0
  Li  Li11  1  0.500  0.500  0.059  1.0
  Li  Li12  1  0.233  0.691  0.050  1.0
  Li  Li13  1  0.767  0.309  0.050  1.0
  Li  Li14  1  0.309  0.233  0.550  1.0
  Li  Li15  1  0.691  0.767  0.550  1.0
  Li  Li16  1  0.309  0.767  0.550  1.0
  Li  Li17  1  0.691  0.233  0.550  1.0
  Li  Li18  1  0.233  0.309  0.050  1.0
  Li  Li19  1  0.767  0.691  0.050  1.0
  Sn  Sn20  1  0.500  0.500  0.810  1.0
  Sn  Sn21  1  0.500  0.500  0.310  1.0
  P  P22  1  0.000  0.000  0.678  1.0
  P  P23  1  0.000  0.000  0.178  1.0
  P  P24  1  0.000  0.500  0.493  1.0
  P  P25  1  0.500  0.000  0.993  1.0
  O  O26  1  0.000  0.683  0.411  1.0
  O  O27  1  0.000  0.317  0.411  1.0
  O  O28  1  0.317  0.000  0.911  1.0
  O  O29  1  0.683  0.000  0.911  1.0
  O  O30  1  0.500  0.186  0.068  1.0
  O  O31  1  0.500  0.814  0.068  1.0
  O  O32  1  0.186  0.500  0.568  1.0
  O  O33  1  0.814  0.500  0.568  1.0
  O  O34  1  0.000  0.823  0.094  1.0
  O  O35  1  0.000  0.177  0.094  1.0
  O  O36  1  0.177  0.000  0.594  1.0
  O  O37  1  0.823  0.000  0.594  1.0
  O  O38  1  0.500  0.286  0.424  1.0
  O  O39  1  0.500  0.714  0.424  1.0
  O  O40  1  0.286  0.500  0.924  1.0
  O  O41  1  0.714  0.500  0.924  1.0
  O  O42  1  0.000  0.173  0.765  1.0
  O  O43  1  0.000  0.827  0.765  1.0
  O  O44  1  0.827  0.000  0.265  1.0
  O  O45  1  0.173  0.000  0.265  1.0
  O  O46  1  0.500  0.721  0.698  1.0
  O  O47  1  0.500  0.279  0.698  1.0
  O  O48  1  0.721  0.500  0.198  1.0
  O  O49  1  0.279  0.500  0.198  1.0
[/CIF]
.