The material described by Li3Sn3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), one O(4), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(16), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(16), one O(2), one O(5), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(3)O5 square pyramid. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(3), one O(4), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-58°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(3), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sn(1), 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(2), one Sn(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) 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(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sn(2), one Sn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Sn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(3), one Sn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Sn(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Sn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   7.728
_cell_length_c   10.647
_cell_angle_alpha   87.348
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.381
_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  0.626  0.147  0.163  1.0
  Li  Li1  1  0.126  0.853  0.837  1.0
  Li  Li2  1  0.857  0.628  0.424  1.0
  Li  Li3  1  0.879  0.648  0.917  1.0
  Li  Li4  1  0.357  0.372  0.576  1.0
  Li  Li5  1  0.379  0.352  0.083  1.0
  Sn  Sn6  1  0.012  0.254  0.636  1.0
  Sn  Sn7  1  0.006  0.254  0.116  1.0
  Sn  Sn8  1  0.626  0.117  0.659  1.0
  Sn  Sn9  1  0.126  0.883  0.341  1.0
  Sn  Sn10  1  0.512  0.746  0.364  1.0
  Sn  Sn11  1  0.506  0.746  0.884  1.0
  P  P12  1  0.800  0.056  0.381  1.0
  P  P13  1  0.812  0.037  0.908  1.0
  P  P14  1  0.300  0.944  0.619  1.0
  P  P15  1  0.312  0.963  0.092  1.0
  P  P16  1  0.687  0.553  0.642  1.0
  P  P17  1  0.699  0.535  0.137  1.0
  P  P18  1  0.199  0.465  0.863  1.0
  P  P19  1  0.187  0.447  0.358  1.0
  O  O20  1  0.843  0.183  0.803  1.0
  O  O21  1  0.884  0.169  0.277  1.0
  O  O22  1  0.807  0.164  0.501  1.0
  O  O23  1  0.380  0.120  0.594  1.0
  O  O24  1  0.818  0.126  0.038  1.0
  O  O25  1  0.426  0.110  0.096  1.0
  O  O26  1  0.128  0.976  0.658  1.0
  O  O27  1  0.639  0.977  0.891  1.0
  O  O28  1  0.139  0.023  0.109  1.0
  O  O29  1  0.628  0.024  0.342  1.0
  O  O30  1  0.880  0.880  0.406  1.0
  O  O31  1  0.307  0.836  0.499  1.0
  O  O32  1  0.926  0.890  0.904  1.0
  O  O33  1  0.384  0.831  0.723  1.0
  O  O34  1  0.318  0.874  0.962  1.0
  O  O35  1  0.343  0.817  0.197  1.0
  O  O36  1  0.645  0.691  0.537  1.0
  O  O37  1  0.680  0.634  0.776  1.0
  O  O38  1  0.653  0.678  0.035  1.0
  O  O39  1  0.085  0.612  0.857  1.0
  O  O40  1  0.711  0.622  0.267  1.0
  O  O41  1  0.072  0.601  0.362  1.0
  O  O42  1  0.357  0.501  0.384  1.0
  O  O43  1  0.857  0.499  0.616  1.0
  O  O44  1  0.369  0.519  0.904  1.0
  O  O45  1  0.869  0.481  0.096  1.0
  O  O46  1  0.572  0.399  0.638  1.0
  O  O47  1  0.211  0.378  0.733  1.0
  O  O48  1  0.585  0.388  0.143  1.0
  O  O49  1  0.180  0.366  0.224  1.0
  O  O50  1  0.145  0.309  0.463  1.0
  O  O51  1  0.153  0.322  0.965  1.0
[/CIF]
.
The material described by Li3Sn3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), one O(4), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(16), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(16), one O(2), one O(5), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one Li(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(3)O5 square pyramid. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(3), one O(4), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  a cornercorner with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-58°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(3), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sn(1), 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(2), one Sn(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) 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(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sn(2), one Sn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Sn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(3), one Sn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Sn(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Sn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Sn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   7.728
_cell_length_c   10.647
_cell_angle_alpha   87.348
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.381
_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  0.626  0.147  0.163  1.0
  Li  Li1  1  0.126  0.853  0.837  1.0
  Li  Li2  1  0.857  0.628  0.424  1.0
  Li  Li3  1  0.879  0.648  0.917  1.0
  Li  Li4  1  0.357  0.372  0.576  1.0
  Li  Li5  1  0.379  0.352  0.083  1.0
  Sn  Sn6  1  0.012  0.254  0.636  1.0
  Sn  Sn7  1  0.006  0.254  0.116  1.0
  Sn  Sn8  1  0.626  0.117  0.659  1.0
  Sn  Sn9  1  0.126  0.883  0.341  1.0
  Sn  Sn10  1  0.512  0.746  0.364  1.0
  Sn  Sn11  1  0.506  0.746  0.884  1.0
  P  P12  1  0.800  0.056  0.381  1.0
  P  P13  1  0.812  0.037  0.908  1.0
  P  P14  1  0.300  0.944  0.619  1.0
  P  P15  1  0.312  0.963  0.092  1.0
  P  P16  1  0.687  0.553  0.642  1.0
  P  P17  1  0.699  0.535  0.137  1.0
  P  P18  1  0.199  0.465  0.863  1.0
  P  P19  1  0.187  0.447  0.358  1.0
  O  O20  1  0.843  0.183  0.803  1.0
  O  O21  1  0.884  0.169  0.277  1.0
  O  O22  1  0.807  0.164  0.501  1.0
  O  O23  1  0.380  0.120  0.594  1.0
  O  O24  1  0.818  0.126  0.038  1.0
  O  O25  1  0.426  0.110  0.096  1.0
  O  O26  1  0.128  0.976  0.658  1.0
  O  O27  1  0.639  0.977  0.891  1.0
  O  O28  1  0.139  0.023  0.109  1.0
  O  O29  1  0.628  0.024  0.342  1.0
  O  O30  1  0.880  0.880  0.406  1.0
  O  O31  1  0.307  0.836  0.499  1.0
  O  O32  1  0.926  0.890  0.904  1.0
  O  O33  1  0.384  0.831  0.723  1.0
  O  O34  1  0.318  0.874  0.962  1.0
  O  O35  1  0.343  0.817  0.197  1.0
  O  O36  1  0.645  0.691  0.537  1.0
  O  O37  1  0.680  0.634  0.776  1.0
  O  O38  1  0.653  0.678  0.035  1.0
  O  O39  1  0.085  0.612  0.857  1.0
  O  O40  1  0.711  0.622  0.267  1.0
  O  O41  1  0.072  0.601  0.362  1.0
  O  O42  1  0.357  0.501  0.384  1.0
  O  O43  1  0.857  0.499  0.616  1.0
  O  O44  1  0.369  0.519  0.904  1.0
  O  O45  1  0.869  0.481  0.096  1.0
  O  O46  1  0.572  0.399  0.638  1.0
  O  O47  1  0.211  0.378  0.733  1.0
  O  O48  1  0.585  0.388  0.143  1.0
  O  O49  1  0.180  0.366  0.224  1.0
  O  O50  1  0.145  0.309  0.463  1.0
  O  O51  1  0.153  0.322  0.965  1.0
[/CIF]
.