The compound described by Li2SnCSO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Li(1)O5 trigonal bipyramids. Sn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sn(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Li2SnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   5.110
_cell_length_c   9.527
_cell_angle_alpha   89.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.412
_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  0.526  0.781  0.819  1.0
  Li  Li1  1  0.974  0.781  0.819  1.0
  Li  Li2  1  0.474  0.219  0.181  1.0
  Li  Li3  1  0.026  0.219  0.181  1.0
  Sn  Sn4  1  0.250  0.234  0.626  1.0
  Sn  Sn5  1  0.750  0.766  0.374  1.0
  C  C6  1  0.250  0.232  0.914  1.0
  C  C7  1  0.750  0.768  0.086  1.0
  S  S8  1  0.750  0.232  0.637  1.0
  S  S9  1  0.250  0.768  0.363  1.0
  O  O10  1  0.750  0.774  0.953  1.0
  O  O11  1  0.250  0.014  0.840  1.0
  O  O12  1  0.250  0.452  0.842  1.0
  O  O13  1  0.926  0.085  0.690  1.0
  O  O14  1  0.574  0.085  0.690  1.0
  O  O15  1  0.250  0.773  0.521  1.0
  O  O16  1  0.750  0.503  0.688  1.0
  O  O17  1  0.250  0.497  0.312  1.0
  O  O18  1  0.750  0.227  0.479  1.0
  O  O19  1  0.426  0.915  0.310  1.0
  O  O20  1  0.074  0.915  0.310  1.0
  O  O21  1  0.750  0.548  0.158  1.0
  O  O22  1  0.750  0.986  0.160  1.0
  O  O23  1  0.250  0.226  0.047  1.0
[/CIF]
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The compound described by Li2SnCSO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Li(1)O5 trigonal bipyramids. Sn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SO4 tetrahedra that share corners with four equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Sn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sn(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Li2SnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   5.110
_cell_length_c   9.527
_cell_angle_alpha   89.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   332.412
_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  0.526  0.781  0.819  1.0
  Li  Li1  1  0.974  0.781  0.819  1.0
  Li  Li2  1  0.474  0.219  0.181  1.0
  Li  Li3  1  0.026  0.219  0.181  1.0
  Sn  Sn4  1  0.250  0.234  0.626  1.0
  Sn  Sn5  1  0.750  0.766  0.374  1.0
  C  C6  1  0.250  0.232  0.914  1.0
  C  C7  1  0.750  0.768  0.086  1.0
  S  S8  1  0.750  0.232  0.637  1.0
  S  S9  1  0.250  0.768  0.363  1.0
  O  O10  1  0.750  0.774  0.953  1.0
  O  O11  1  0.250  0.014  0.840  1.0
  O  O12  1  0.250  0.452  0.842  1.0
  O  O13  1  0.926  0.085  0.690  1.0
  O  O14  1  0.574  0.085  0.690  1.0
  O  O15  1  0.250  0.773  0.521  1.0
  O  O16  1  0.750  0.503  0.688  1.0
  O  O17  1  0.250  0.497  0.312  1.0
  O  O18  1  0.750  0.227  0.479  1.0
  O  O19  1  0.426  0.915  0.310  1.0
  O  O20  1  0.074  0.915  0.310  1.0
  O  O21  1  0.750  0.548  0.158  1.0
  O  O22  1  0.750  0.986  0.160  1.0
  O  O23  1  0.250  0.226  0.047  1.0
[/CIF]
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