The compound described by LiSnP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(3) atoms. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sn(1) and one P(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 two equivalent Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   6.665
_cell_length_c   9.678
_cell_angle_alpha   109.679
_cell_angle_beta   91.527
_cell_angle_gamma   109.331
_symmetry_Int_Tables_number   1
_cell_volume   289.873
_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  0.060  0.288  0.041  1.0
  Li  Li1  1  0.940  0.712  0.959  1.0
  Sn  Sn2  1  0.148  0.785  0.336  1.0
  Sn  Sn3  1  0.852  0.215  0.664  1.0
  P  P4  1  0.289  0.293  0.379  1.0
  P  P5  1  0.503  0.696  0.141  1.0
  P  P6  1  0.497  0.304  0.859  1.0
  P  P7  1  0.711  0.707  0.621  1.0
  O  O8  1  0.084  0.399  0.406  1.0
  O  O9  1  0.147  0.142  0.275  1.0
  O  O10  1  0.291  0.602  0.024  1.0
  O  O11  1  0.440  0.175  0.525  1.0
  O  O12  1  0.188  0.215  0.882  1.0
  O  O13  1  0.591  0.134  0.822  1.0
  O  O14  1  0.525  0.493  0.296  1.0
  O  O15  1  0.475  0.507  0.704  1.0
  O  O16  1  0.409  0.866  0.178  1.0
  O  O17  1  0.812  0.785  0.118  1.0
  O  O18  1  0.560  0.825  0.475  1.0
  O  O19  1  0.709  0.398  0.976  1.0
  O  O20  1  0.853  0.858  0.725  1.0
  O  O21  1  0.916  0.601  0.594  1.0
[/CIF]
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The compound described by LiSnP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(3) atoms. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sn(1) and one P(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 two equivalent Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   6.665
_cell_length_c   9.678
_cell_angle_alpha   109.679
_cell_angle_beta   91.527
_cell_angle_gamma   109.331
_symmetry_Int_Tables_number   1
_cell_volume   289.873
_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  0.060  0.288  0.041  1.0
  Li  Li1  1  0.940  0.712  0.959  1.0
  Sn  Sn2  1  0.148  0.785  0.336  1.0
  Sn  Sn3  1  0.852  0.215  0.664  1.0
  P  P4  1  0.289  0.293  0.379  1.0
  P  P5  1  0.503  0.696  0.141  1.0
  P  P6  1  0.497  0.304  0.859  1.0
  P  P7  1  0.711  0.707  0.621  1.0
  O  O8  1  0.084  0.399  0.406  1.0
  O  O9  1  0.147  0.142  0.275  1.0
  O  O10  1  0.291  0.602  0.024  1.0
  O  O11  1  0.440  0.175  0.525  1.0
  O  O12  1  0.188  0.215  0.882  1.0
  O  O13  1  0.591  0.134  0.822  1.0
  O  O14  1  0.525  0.493  0.296  1.0
  O  O15  1  0.475  0.507  0.704  1.0
  O  O16  1  0.409  0.866  0.178  1.0
  O  O17  1  0.812  0.785  0.118  1.0
  O  O18  1  0.560  0.825  0.475  1.0
  O  O19  1  0.709  0.398  0.976  1.0
  O  O20  1  0.853  0.858  0.725  1.0
  O  O21  1  0.916  0.601  0.594  1.0
[/CIF]
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