The material structure described by LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) 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 40-54°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Sn(1), one Sn(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiSnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   8.134
_cell_length_c   5.173
_cell_angle_alpha   107.669
_cell_angle_beta   96.183
_cell_angle_gamma   108.458
_symmetry_Int_Tables_number   1
_cell_volume   219.620
_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  0.399  0.824  0.750  1.0
  Li  Li1  1  0.601  0.176  0.250  1.0
  Sn  Sn2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.355  0.220  0.650  1.0
  P  P5  1  0.645  0.780  0.350  1.0
  H  H6  1  0.048  0.300  0.372  1.0
  H  H7  1  0.952  0.700  0.628  1.0
  O  O8  1  0.065  0.761  0.820  1.0
  O  O9  1  0.216  0.353  0.677  1.0
  O  O10  1  0.376  0.691  0.357  1.0
  O  O11  1  0.241  0.050  0.363  1.0
  O  O12  1  0.336  0.136  0.890  1.0
  O  O13  1  0.664  0.864  0.110  1.0
  O  O14  1  0.759  0.950  0.637  1.0
  O  O15  1  0.624  0.309  0.643  1.0
  O  O16  1  0.784  0.647  0.323  1.0
  O  O17  1  0.935  0.239  0.180  1.0
[/CIF]
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The material structure described by LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) 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 40-54°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Sn(1), one Sn(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiSnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   8.134
_cell_length_c   5.173
_cell_angle_alpha   107.669
_cell_angle_beta   96.183
_cell_angle_gamma   108.458
_symmetry_Int_Tables_number   1
_cell_volume   219.620
_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  0.399  0.824  0.750  1.0
  Li  Li1  1  0.601  0.176  0.250  1.0
  Sn  Sn2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.355  0.220  0.650  1.0
  P  P5  1  0.645  0.780  0.350  1.0
  H  H6  1  0.048  0.300  0.372  1.0
  H  H7  1  0.952  0.700  0.628  1.0
  O  O8  1  0.065  0.761  0.820  1.0
  O  O9  1  0.216  0.353  0.677  1.0
  O  O10  1  0.376  0.691  0.357  1.0
  O  O11  1  0.241  0.050  0.363  1.0
  O  O12  1  0.336  0.136  0.890  1.0
  O  O13  1  0.664  0.864  0.110  1.0
  O  O14  1  0.759  0.950  0.637  1.0
  O  O15  1  0.624  0.309  0.643  1.0
  O  O16  1  0.784  0.647  0.323  1.0
  O  O17  1  0.935  0.239  0.180  1.0
[/CIF]
.