The material described by Li5Sn5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(22), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(13), one O(18), one O(19), and one O(22) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(11), one O(16), one O(17), and one O(18) atom. In the fifth Li site, Li(5) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(5) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(22) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. In the third Sn site, Sn(3) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), 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, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Sn site, Sn(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted SnO6 pentagonal pyramids 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 fifth Sn site, Sn(5) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 31°. 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 28°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 15°. In the fourth P site, P(4) 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 10°. In the fifth P site, P(5) 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 29°. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 38°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Li(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sn(2), one Sn(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(1), one Sn(2), one Sn(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Sn(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sn(2), one Sn(4), and one P(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Sn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Sn(3) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(3), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Li(2), one Sn(2), one Sn(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Li(5), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted L-shaped geometry to one Li(4), one Sn(2), one Sn(5), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Sn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one Li(3), one Sn(2), one Sn(5), and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Sn(5) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Sn(1), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Sn(5) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Sn(5) and one P(1) atom. is represented by the CIF card [CIF]
data_Li5Sn5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.155
_cell_length_b   9.156
_cell_length_c   9.277
_cell_angle_alpha   61.641
_cell_angle_beta   61.445
_cell_angle_gamma   60.090
_symmetry_Int_Tables_number   1
_cell_volume   562.770
_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  0.866  0.649  0.222  1.0
  Li  Li1  1  0.180  0.318  0.657  1.0
  Li  Li2  1  0.862  0.173  0.649  1.0
  Li  Li3  1  0.308  0.851  0.659  1.0
  Li  Li4  1  0.197  0.187  0.443  1.0
  Sn  Sn5  1  0.012  0.033  0.960  1.0
  Sn  Sn6  1  0.501  0.501  0.484  1.0
  Sn  Sn7  1  0.846  0.844  0.469  1.0
  Sn  Sn8  1  0.647  0.653  0.042  1.0
  Sn  Sn9  1  0.343  0.332  0.975  1.0
  P  P10  1  0.244  0.563  0.265  1.0
  P  P11  1  0.935  0.239  0.268  1.0
  P  P12  1  0.439  0.030  0.762  1.0
  P  P13  1  0.027  0.761  0.783  1.0
  P  P14  1  0.767  0.445  0.744  1.0
  P  P15  1  0.560  0.930  0.269  1.0
  O  O16  1  0.679  0.482  0.917  1.0
  O  O17  1  0.459  0.910  0.942  1.0
  O  O18  1  0.081  0.733  0.302  1.0
  O  O19  1  0.920  0.686  0.972  1.0
  O  O20  1  0.224  0.395  0.418  1.0
  O  O21  1  0.413  0.586  0.250  1.0
  O  O22  1  0.876  0.084  0.315  1.0
  O  O23  1  0.761  0.415  0.265  1.0
  O  O24  1  0.603  0.972  0.614  1.0
  O  O25  1  0.592  0.742  0.265  1.0
  O  O26  1  0.276  0.022  0.751  1.0
  O  O27  1  0.948  0.778  0.657  1.0
  O  O28  1  0.994  0.214  0.411  1.0
  O  O29  1  0.742  0.883  0.290  1.0
  O  O30  1  0.390  0.228  0.735  1.0
  O  O31  1  0.397  0.971  0.423  1.0
  O  O32  1  0.228  0.649  0.738  1.0
  O  O33  1  0.013  0.950  0.758  1.0
  O  O34  1  0.657  0.378  0.720  1.0
  O  O35  1  0.798  0.608  0.584  1.0
  O  O36  1  0.073  0.261  0.089  1.0
  O  O37  1  0.953  0.289  0.743  1.0
  O  O38  1  0.552  0.072  0.095  1.0
  O  O39  1  0.262  0.559  0.095  1.0
[/CIF]
.
The material described by Li5Sn5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(22), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(13), one O(18), one O(19), and one O(22) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(11), one O(16), one O(17), and one O(18) atom. In the fifth Li site, Li(5) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(5) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(11), one O(18), and one O(22) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. In the third Sn site, Sn(3) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), 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, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Sn site, Sn(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form distorted SnO6 pentagonal pyramids 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 fifth Sn site, Sn(5) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 31°. 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 28°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 15°. In the fourth P site, P(4) 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 10°. In the fifth P site, P(5) 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 Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 29°. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra and  a cornercorner with one Sn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 38°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(4) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Li(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sn(2), one Sn(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(1), one Sn(2), one Sn(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Sn(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sn(2), one Sn(4), and one P(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Sn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Sn(3) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(3), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Li(2), one Sn(2), one Sn(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(4), one Li(5), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted L-shaped geometry to one Li(4), one Sn(2), one Sn(5), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Sn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one Li(3), one Sn(2), one Sn(5), and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Sn(3) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Sn(5) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Sn(1), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Sn(5) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Sn(5) and one P(1) atom. is represented by the CIF card [CIF]
data_Li5Sn5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.155
_cell_length_b   9.156
_cell_length_c   9.277
_cell_angle_alpha   61.641
_cell_angle_beta   61.445
_cell_angle_gamma   60.090
_symmetry_Int_Tables_number   1
_cell_volume   562.770
_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  0.866  0.649  0.222  1.0
  Li  Li1  1  0.180  0.318  0.657  1.0
  Li  Li2  1  0.862  0.173  0.649  1.0
  Li  Li3  1  0.308  0.851  0.659  1.0
  Li  Li4  1  0.197  0.187  0.443  1.0
  Sn  Sn5  1  0.012  0.033  0.960  1.0
  Sn  Sn6  1  0.501  0.501  0.484  1.0
  Sn  Sn7  1  0.846  0.844  0.469  1.0
  Sn  Sn8  1  0.647  0.653  0.042  1.0
  Sn  Sn9  1  0.343  0.332  0.975  1.0
  P  P10  1  0.244  0.563  0.265  1.0
  P  P11  1  0.935  0.239  0.268  1.0
  P  P12  1  0.439  0.030  0.762  1.0
  P  P13  1  0.027  0.761  0.783  1.0
  P  P14  1  0.767  0.445  0.744  1.0
  P  P15  1  0.560  0.930  0.269  1.0
  O  O16  1  0.679  0.482  0.917  1.0
  O  O17  1  0.459  0.910  0.942  1.0
  O  O18  1  0.081  0.733  0.302  1.0
  O  O19  1  0.920  0.686  0.972  1.0
  O  O20  1  0.224  0.395  0.418  1.0
  O  O21  1  0.413  0.586  0.250  1.0
  O  O22  1  0.876  0.084  0.315  1.0
  O  O23  1  0.761  0.415  0.265  1.0
  O  O24  1  0.603  0.972  0.614  1.0
  O  O25  1  0.592  0.742  0.265  1.0
  O  O26  1  0.276  0.022  0.751  1.0
  O  O27  1  0.948  0.778  0.657  1.0
  O  O28  1  0.994  0.214  0.411  1.0
  O  O29  1  0.742  0.883  0.290  1.0
  O  O30  1  0.390  0.228  0.735  1.0
  O  O31  1  0.397  0.971  0.423  1.0
  O  O32  1  0.228  0.649  0.738  1.0
  O  O33  1  0.013  0.950  0.758  1.0
  O  O34  1  0.657  0.378  0.720  1.0
  O  O35  1  0.798  0.608  0.584  1.0
  O  O36  1  0.073  0.261  0.089  1.0
  O  O37  1  0.953  0.289  0.743  1.0
  O  O38  1  0.552  0.072  0.095  1.0
  O  O39  1  0.262  0.559  0.095  1.0
[/CIF]
.