The material structure described by LiSn2P3O12 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-49°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(1) 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(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(3) atom. is represented by the CIF file [CIF]
data_LiSn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.587
_cell_length_b   8.511
_cell_length_c   9.137
_cell_angle_alpha   61.887
_cell_angle_beta   118.400
_cell_angle_gamma   120.281
_symmetry_Int_Tables_number   1
_cell_volume   483.171
_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  0.931  0.316  0.869  1.0
  Li  Li1  1  0.069  0.684  0.131  1.0
  Sn  Sn2  1  0.642  0.350  0.947  1.0
  Sn  Sn3  1  0.850  0.137  0.568  1.0
  Sn  Sn4  1  0.150  0.863  0.432  1.0
  Sn  Sn5  1  0.358  0.650  0.053  1.0
  P  P6  1  0.963  0.749  0.754  1.0
  P  P7  1  0.542  0.039  0.752  1.0
  P  P8  1  0.246  0.460  0.746  1.0
  P  P9  1  0.754  0.540  0.254  1.0
  P  P10  1  0.458  0.961  0.248  1.0
  P  P11  1  0.037  0.251  0.246  1.0
  O  O12  1  0.825  0.536  0.793  1.0
  O  O13  1  0.872  0.877  0.733  1.0
  O  O14  1  0.524  0.845  0.897  1.0
  O  O15  1  0.747  0.127  0.741  1.0
  O  O16  1  0.455  0.488  0.799  1.0
  O  O17  1  0.515  0.178  0.793  1.0
  O  O18  1  0.206  0.475  0.890  1.0
  O  O19  1  0.145  0.769  0.918  1.0
  O  O20  1  0.992  0.196  0.410  1.0
  O  O21  1  0.111  0.258  0.731  1.0
  O  O22  1  0.400  0.018  0.573  1.0
  O  O23  1  0.801  0.388  0.429  1.0
  O  O24  1  0.199  0.612  0.571  1.0
  O  O25  1  0.600  0.982  0.427  1.0
  O  O26  1  0.889  0.742  0.269  1.0
  O  O27  1  0.008  0.804  0.590  1.0
  O  O28  1  0.855  0.231  0.082  1.0
  O  O29  1  0.794  0.525  0.110  1.0
  O  O30  1  0.485  0.822  0.207  1.0
  O  O31  1  0.545  0.512  0.201  1.0
  O  O32  1  0.253  0.873  0.259  1.0
  O  O33  1  0.476  0.155  0.103  1.0
  O  O34  1  0.128  0.123  0.267  1.0
  O  O35  1  0.175  0.464  0.207  1.0
[/CIF]
.
The material structure described by LiSn2P3O12 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-49°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Sn(1) 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(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Sn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(3) atom. is represented by the CIF file [CIF]
data_LiSn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.587
_cell_length_b   8.511
_cell_length_c   9.137
_cell_angle_alpha   61.887
_cell_angle_beta   118.400
_cell_angle_gamma   120.281
_symmetry_Int_Tables_number   1
_cell_volume   483.171
_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  0.931  0.316  0.869  1.0
  Li  Li1  1  0.069  0.684  0.131  1.0
  Sn  Sn2  1  0.642  0.350  0.947  1.0
  Sn  Sn3  1  0.850  0.137  0.568  1.0
  Sn  Sn4  1  0.150  0.863  0.432  1.0
  Sn  Sn5  1  0.358  0.650  0.053  1.0
  P  P6  1  0.963  0.749  0.754  1.0
  P  P7  1  0.542  0.039  0.752  1.0
  P  P8  1  0.246  0.460  0.746  1.0
  P  P9  1  0.754  0.540  0.254  1.0
  P  P10  1  0.458  0.961  0.248  1.0
  P  P11  1  0.037  0.251  0.246  1.0
  O  O12  1  0.825  0.536  0.793  1.0
  O  O13  1  0.872  0.877  0.733  1.0
  O  O14  1  0.524  0.845  0.897  1.0
  O  O15  1  0.747  0.127  0.741  1.0
  O  O16  1  0.455  0.488  0.799  1.0
  O  O17  1  0.515  0.178  0.793  1.0
  O  O18  1  0.206  0.475  0.890  1.0
  O  O19  1  0.145  0.769  0.918  1.0
  O  O20  1  0.992  0.196  0.410  1.0
  O  O21  1  0.111  0.258  0.731  1.0
  O  O22  1  0.400  0.018  0.573  1.0
  O  O23  1  0.801  0.388  0.429  1.0
  O  O24  1  0.199  0.612  0.571  1.0
  O  O25  1  0.600  0.982  0.427  1.0
  O  O26  1  0.889  0.742  0.269  1.0
  O  O27  1  0.008  0.804  0.590  1.0
  O  O28  1  0.855  0.231  0.082  1.0
  O  O29  1  0.794  0.525  0.110  1.0
  O  O30  1  0.485  0.822  0.207  1.0
  O  O31  1  0.545  0.512  0.201  1.0
  O  O32  1  0.253  0.873  0.259  1.0
  O  O33  1  0.476  0.155  0.103  1.0
  O  O34  1  0.128  0.123  0.267  1.0
  O  O35  1  0.175  0.464  0.207  1.0
[/CIF]
.