The compound described by LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one Sn(2), one O(1), one O(3), one O(4), and one O(5) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a 2-coordinate geometry to one O(2), one O(3), and one O(5) atom. H(1) is bonded in a single-bond geometry to one Sn(1) and one O(1) 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 single-bond geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1) and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Sn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   5.928
_cell_length_c   8.086
_cell_angle_alpha   110.224
_cell_angle_beta   104.804
_cell_angle_gamma   96.183
_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  0.250  0.601  0.824  1.0
  Li  Li1  1  0.750  0.399  0.176  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.350  0.645  0.220  1.0
  P  P5  1  0.650  0.355  0.780  1.0
  H  H6  1  0.628  0.952  0.300  1.0
  H  H7  1  0.372  0.048  0.700  1.0
  O  O8  1  0.180  0.935  0.761  1.0
  O  O9  1  0.323  0.784  0.353  1.0
  O  O10  1  0.643  0.624  0.691  1.0
  O  O11  1  0.637  0.759  0.050  1.0
  O  O12  1  0.110  0.664  0.136  1.0
  O  O13  1  0.890  0.336  0.864  1.0
  O  O14  1  0.363  0.241  0.950  1.0
  O  O15  1  0.357  0.376  0.309  1.0
  O  O16  1  0.677  0.216  0.647  1.0
  O  O17  1  0.820  0.065  0.239  1.0
[/CIF]
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The compound described by LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one Sn(2), one O(1), one O(3), one O(4), and one O(5) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a 2-coordinate geometry to one O(2), one O(3), and one O(5) atom. H(1) is bonded in a single-bond geometry to one Sn(1) and one O(1) 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 single-bond geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1) and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one Sn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   5.928
_cell_length_c   8.086
_cell_angle_alpha   110.224
_cell_angle_beta   104.804
_cell_angle_gamma   96.183
_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  0.250  0.601  0.824  1.0
  Li  Li1  1  0.750  0.399  0.176  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.350  0.645  0.220  1.0
  P  P5  1  0.650  0.355  0.780  1.0
  H  H6  1  0.628  0.952  0.300  1.0
  H  H7  1  0.372  0.048  0.700  1.0
  O  O8  1  0.180  0.935  0.761  1.0
  O  O9  1  0.323  0.784  0.353  1.0
  O  O10  1  0.643  0.624  0.691  1.0
  O  O11  1  0.637  0.759  0.050  1.0
  O  O12  1  0.110  0.664  0.136  1.0
  O  O13  1  0.890  0.336  0.864  1.0
  O  O14  1  0.363  0.241  0.950  1.0
  O  O15  1  0.357  0.376  0.309  1.0
  O  O16  1  0.677  0.216  0.647  1.0
  O  O17  1  0.820  0.065  0.239  1.0
[/CIF]
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