The material described by LiSnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 trigonal planar geometry to one Li(2), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1), one Sn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Sn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   7.107
_cell_length_c   10.071
_cell_angle_alpha   73.407
_cell_angle_beta   79.444
_cell_angle_gamma   77.977
_symmetry_Int_Tables_number   1
_cell_volume   370.676
_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  0.682  0.317  0.896  1.0
  Li  Li1  1  0.117  0.505  0.744  1.0
  Li  Li2  1  0.883  0.495  0.256  1.0
  Li  Li3  1  0.318  0.683  0.104  1.0
  Sn  Sn4  1  0.302  0.938  0.786  1.0
  Sn  Sn5  1  0.745  0.209  0.588  1.0
  Sn  Sn6  1  0.255  0.791  0.412  1.0
  Sn  Sn7  1  0.698  0.062  0.214  1.0
  P  P8  1  0.796  0.805  0.949  1.0
  P  P9  1  0.712  0.644  0.580  1.0
  P  P10  1  0.288  0.356  0.420  1.0
  P  P11  1  0.204  0.195  0.051  1.0
  O  O12  1  0.574  0.727  0.914  1.0
  O  O13  1  0.044  0.724  0.862  1.0
  O  O14  1  0.187  0.278  0.895  1.0
  O  O15  1  0.760  0.035  0.902  1.0
  O  O16  1  0.902  0.785  0.559  1.0
  O  O17  1  0.444  0.755  0.617  1.0
  O  O18  1  0.773  0.455  0.702  1.0
  O  O19  1  0.283  0.427  0.553  1.0
  O  O20  1  0.717  0.573  0.447  1.0
  O  O21  1  0.227  0.545  0.298  1.0
  O  O22  1  0.556  0.245  0.383  1.0
  O  O23  1  0.098  0.215  0.441  1.0
  O  O24  1  0.240  0.965  0.098  1.0
  O  O25  1  0.813  0.722  0.105  1.0
  O  O26  1  0.956  0.276  0.138  1.0
  O  O27  1  0.426  0.273  0.086  1.0
[/CIF]
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The material described by LiSnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 trigonal planar geometry to one Li(2), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1), one Sn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Sn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Sn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiSnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   7.107
_cell_length_c   10.071
_cell_angle_alpha   73.407
_cell_angle_beta   79.444
_cell_angle_gamma   77.977
_symmetry_Int_Tables_number   1
_cell_volume   370.676
_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  0.682  0.317  0.896  1.0
  Li  Li1  1  0.117  0.505  0.744  1.0
  Li  Li2  1  0.883  0.495  0.256  1.0
  Li  Li3  1  0.318  0.683  0.104  1.0
  Sn  Sn4  1  0.302  0.938  0.786  1.0
  Sn  Sn5  1  0.745  0.209  0.588  1.0
  Sn  Sn6  1  0.255  0.791  0.412  1.0
  Sn  Sn7  1  0.698  0.062  0.214  1.0
  P  P8  1  0.796  0.805  0.949  1.0
  P  P9  1  0.712  0.644  0.580  1.0
  P  P10  1  0.288  0.356  0.420  1.0
  P  P11  1  0.204  0.195  0.051  1.0
  O  O12  1  0.574  0.727  0.914  1.0
  O  O13  1  0.044  0.724  0.862  1.0
  O  O14  1  0.187  0.278  0.895  1.0
  O  O15  1  0.760  0.035  0.902  1.0
  O  O16  1  0.902  0.785  0.559  1.0
  O  O17  1  0.444  0.755  0.617  1.0
  O  O18  1  0.773  0.455  0.702  1.0
  O  O19  1  0.283  0.427  0.553  1.0
  O  O20  1  0.717  0.573  0.447  1.0
  O  O21  1  0.227  0.545  0.298  1.0
  O  O22  1  0.556  0.245  0.383  1.0
  O  O23  1  0.098  0.215  0.441  1.0
  O  O24  1  0.240  0.965  0.098  1.0
  O  O25  1  0.813  0.722  0.105  1.0
  O  O26  1  0.956  0.276  0.138  1.0
  O  O27  1  0.426  0.273  0.086  1.0
[/CIF]
.