The compound described by LiSn(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. Sn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two 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(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiSn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   9.618
_cell_angle_alpha   57.597
_cell_angle_beta   57.597
_cell_angle_gamma   47.212
_symmetry_Int_Tables_number   1
_cell_volume   457.924
_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  0.704  0.296  0.750  1.0
  Li  Li1  1  0.296  0.704  0.250  1.0
  Sn  Sn2  1  0.194  0.806  0.750  1.0
  Sn  Sn3  1  0.806  0.194  0.250  1.0
  P  P4  1  0.006  0.705  0.191  1.0
  P  P5  1  0.416  0.309  0.118  1.0
  P  P6  1  0.691  0.584  0.382  1.0
  P  P7  1  0.295  0.994  0.309  1.0
  P  P8  1  0.705  0.006  0.691  1.0
  P  P9  1  0.309  0.416  0.618  1.0
  P  P10  1  0.584  0.691  0.882  1.0
  P  P11  1  0.994  0.295  0.809  1.0
  O  O12  1  0.601  0.169  0.190  1.0
  O  O13  1  0.217  0.473  0.230  1.0
  O  O14  1  0.986  0.761  0.020  1.0
  O  O15  1  0.824  0.670  0.345  1.0
  O  O16  1  0.983  0.156  0.778  1.0
  O  O17  1  0.330  0.176  0.155  1.0
  O  O18  1  0.239  0.014  0.480  1.0
  O  O19  1  0.579  0.553  0.571  1.0
  O  O20  1  0.447  0.421  0.929  1.0
  O  O21  1  0.527  0.783  0.270  1.0
  O  O22  1  0.831  0.399  0.310  1.0
  O  O23  1  0.844  0.017  0.722  1.0
  O  O24  1  0.156  0.983  0.278  1.0
  O  O25  1  0.169  0.601  0.690  1.0
  O  O26  1  0.473  0.217  0.730  1.0
  O  O27  1  0.553  0.579  0.071  1.0
  O  O28  1  0.421  0.447  0.429  1.0
  O  O29  1  0.761  0.986  0.520  1.0
  O  O30  1  0.670  0.824  0.845  1.0
  O  O31  1  0.017  0.844  0.222  1.0
  O  O32  1  0.176  0.330  0.655  1.0
  O  O33  1  0.014  0.239  0.980  1.0
  O  O34  1  0.783  0.527  0.770  1.0
  O  O35  1  0.399  0.831  0.810  1.0
[/CIF]
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The compound described by LiSn(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. Sn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two 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(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiSn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   9.618
_cell_angle_alpha   57.597
_cell_angle_beta   57.597
_cell_angle_gamma   47.212
_symmetry_Int_Tables_number   1
_cell_volume   457.924
_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  0.704  0.296  0.750  1.0
  Li  Li1  1  0.296  0.704  0.250  1.0
  Sn  Sn2  1  0.194  0.806  0.750  1.0
  Sn  Sn3  1  0.806  0.194  0.250  1.0
  P  P4  1  0.006  0.705  0.191  1.0
  P  P5  1  0.416  0.309  0.118  1.0
  P  P6  1  0.691  0.584  0.382  1.0
  P  P7  1  0.295  0.994  0.309  1.0
  P  P8  1  0.705  0.006  0.691  1.0
  P  P9  1  0.309  0.416  0.618  1.0
  P  P10  1  0.584  0.691  0.882  1.0
  P  P11  1  0.994  0.295  0.809  1.0
  O  O12  1  0.601  0.169  0.190  1.0
  O  O13  1  0.217  0.473  0.230  1.0
  O  O14  1  0.986  0.761  0.020  1.0
  O  O15  1  0.824  0.670  0.345  1.0
  O  O16  1  0.983  0.156  0.778  1.0
  O  O17  1  0.330  0.176  0.155  1.0
  O  O18  1  0.239  0.014  0.480  1.0
  O  O19  1  0.579  0.553  0.571  1.0
  O  O20  1  0.447  0.421  0.929  1.0
  O  O21  1  0.527  0.783  0.270  1.0
  O  O22  1  0.831  0.399  0.310  1.0
  O  O23  1  0.844  0.017  0.722  1.0
  O  O24  1  0.156  0.983  0.278  1.0
  O  O25  1  0.169  0.601  0.690  1.0
  O  O26  1  0.473  0.217  0.730  1.0
  O  O27  1  0.553  0.579  0.071  1.0
  O  O28  1  0.421  0.447  0.429  1.0
  O  O29  1  0.761  0.986  0.520  1.0
  O  O30  1  0.670  0.824  0.845  1.0
  O  O31  1  0.017  0.844  0.222  1.0
  O  O32  1  0.176  0.330  0.655  1.0
  O  O33  1  0.014  0.239  0.980  1.0
  O  O34  1  0.783  0.527  0.770  1.0
  O  O35  1  0.399  0.831  0.810  1.0
[/CIF]
.