The material described by LiSnPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with five equivalent Sn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Sn(1)O6 pentagonal pyramid, and edges with two equivalent P(1)O4 tetrahedra. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 pentagonal pyramids, corners with five equivalent Li(1)O5 square pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Sn(1)O6 pentagonal pyramids,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Sn(1)O6 pentagonal pyramid, and edges with two equivalent Li(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Sn(1), and one P(1) atom to form distorted corner-sharing OLi2SnP trigonal pyramids. is represented by the CIF card [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   7.169
_cell_length_c   10.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.444
_cell_formula_units_Z   4
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  0.471  0.744  0.241  1.0
  Li  Li1  1  0.529  0.244  0.259  1.0
  Li  Li2  1  0.029  0.256  0.741  1.0
  Li  Li3  1  0.971  0.756  0.759  1.0
  Sn  Sn4  1  0.945  0.005  0.041  1.0
  Sn  Sn5  1  0.055  0.505  0.459  1.0
  Sn  Sn6  1  0.555  0.995  0.541  1.0
  Sn  Sn7  1  0.445  0.495  0.959  1.0
  P  P8  1  0.874  0.512  0.167  1.0
  P  P9  1  0.126  0.012  0.333  1.0
  P  P10  1  0.626  0.488  0.667  1.0
  P  P11  1  0.374  0.988  0.833  1.0
  O  O12  1  0.746  0.681  0.095  1.0
  O  O13  1  0.767  0.335  0.096  1.0
  O  O14  1  0.187  0.522  0.180  1.0
  O  O15  1  0.268  0.008  0.202  1.0
  O  O16  1  0.732  0.508  0.298  1.0
  O  O17  1  0.813  0.022  0.320  1.0
  O  O18  1  0.233  0.835  0.404  1.0
  O  O19  1  0.254  0.181  0.405  1.0
  O  O20  1  0.754  0.319  0.595  1.0
  O  O21  1  0.733  0.665  0.596  1.0
  O  O22  1  0.313  0.478  0.680  1.0
  O  O23  1  0.232  0.992  0.702  1.0
  O  O24  1  0.768  0.492  0.798  1.0
  O  O25  1  0.687  0.978  0.820  1.0
  O  O26  1  0.267  0.165  0.904  1.0
  O  O27  1  0.246  0.819  0.905  1.0
[/CIF]
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The material described by LiSnPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with five equivalent Sn(1)O6 pentagonal pyramids, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one Sn(1)O6 pentagonal pyramid, and edges with two equivalent P(1)O4 tetrahedra. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 pentagonal pyramids, corners with five equivalent Li(1)O5 square pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Sn(1)O6 pentagonal pyramids,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one Sn(1)O6 pentagonal pyramid, and edges with two equivalent Li(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Sn(1), and one P(1) atom to form distorted corner-sharing OLi2SnP trigonal pyramids. is represented by the CIF card [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   7.169
_cell_length_c   10.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.444
_cell_formula_units_Z   4
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  0.471  0.744  0.241  1.0
  Li  Li1  1  0.529  0.244  0.259  1.0
  Li  Li2  1  0.029  0.256  0.741  1.0
  Li  Li3  1  0.971  0.756  0.759  1.0
  Sn  Sn4  1  0.945  0.005  0.041  1.0
  Sn  Sn5  1  0.055  0.505  0.459  1.0
  Sn  Sn6  1  0.555  0.995  0.541  1.0
  Sn  Sn7  1  0.445  0.495  0.959  1.0
  P  P8  1  0.874  0.512  0.167  1.0
  P  P9  1  0.126  0.012  0.333  1.0
  P  P10  1  0.626  0.488  0.667  1.0
  P  P11  1  0.374  0.988  0.833  1.0
  O  O12  1  0.746  0.681  0.095  1.0
  O  O13  1  0.767  0.335  0.096  1.0
  O  O14  1  0.187  0.522  0.180  1.0
  O  O15  1  0.268  0.008  0.202  1.0
  O  O16  1  0.732  0.508  0.298  1.0
  O  O17  1  0.813  0.022  0.320  1.0
  O  O18  1  0.233  0.835  0.404  1.0
  O  O19  1  0.254  0.181  0.405  1.0
  O  O20  1  0.754  0.319  0.595  1.0
  O  O21  1  0.733  0.665  0.596  1.0
  O  O22  1  0.313  0.478  0.680  1.0
  O  O23  1  0.232  0.992  0.702  1.0
  O  O24  1  0.768  0.492  0.798  1.0
  O  O25  1  0.687  0.978  0.820  1.0
  O  O26  1  0.267  0.165  0.904  1.0
  O  O27  1  0.246  0.819  0.905  1.0
[/CIF]
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