The material structure described by LiSr(BS2)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one S(1), one S(5), and two equivalent S(3) atoms to form corner-sharing LiS4 tetrahedra. Sr(1) is bonded in a 10-coordinate geometry to one B(3), one S(2), one S(3), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one S(2), one S(5), and one S(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one S(2), one S(3), and one S(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one Sr(1), one S(1), one S(4), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one B(3) atom. In the second S site, S(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(2) atom. In the third S site, S(3) is bonded to two equivalent Li(1), one Sr(1), and one B(2) atom to form distorted SSrLi2B tetrahedra that share corners with two equivalent S(5)Sr2LiB tetrahedra, corners with two equivalent S(3)SrLi2B tetrahedra, and  an edgeedge with one S(5)Sr2LiB tetrahedra. In the fourth S site, S(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(2), and one B(3) atom. In the fifth S site, S(5) is bonded to one Li(1), two equivalent Sr(1), and one B(1) atom to form distorted SSr2LiB tetrahedra that share corners with two equivalent S(5)Sr2LiB tetrahedra, corners with two equivalent S(3)SrLi2B tetrahedra, and  an edgeedge with one S(3)SrLi2B tetrahedra. In the sixth S site, S(6) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(3) atom. is represented by the CIF card [CIF]
data_SrLi(BS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   8.733
_cell_length_c   8.071
_cell_angle_alpha   66.733
_cell_angle_beta   66.733
_cell_angle_gamma   60.354
_symmetry_Int_Tables_number   1
_cell_volume   475.844
_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
  Sr  Sr0  1  0.860  0.621  0.025  1.0
  Sr  Sr1  1  0.621  0.860  0.525  1.0
  Li  Li2  1  0.510  0.294  0.062  1.0
  Li  Li3  1  0.294  0.510  0.562  1.0
  B  B4  1  0.988  0.971  0.061  1.0
  B  B5  1  0.240  0.161  0.957  1.0
  B  B6  1  0.161  0.240  0.457  1.0
  B  B7  1  0.396  0.755  0.973  1.0
  B  B8  1  0.971  0.988  0.561  1.0
  B  B9  1  0.755  0.396  0.473  1.0
  S  S10  1  0.563  0.595  0.409  1.0
  S  S11  1  0.007  0.183  0.012  1.0
  S  S12  1  0.363  0.264  0.421  1.0
  S  S13  1  0.444  0.952  0.928  1.0
  S  S14  1  0.978  0.766  0.605  1.0
  S  S15  1  0.952  0.444  0.428  1.0
  S  S16  1  0.595  0.563  0.909  1.0
  S  S17  1  0.264  0.363  0.921  1.0
  S  S18  1  0.173  0.746  0.065  1.0
  S  S19  1  0.746  0.173  0.565  1.0
  S  S20  1  0.183  0.007  0.512  1.0
  S  S21  1  0.766  0.978  0.105  1.0
[/CIF]
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The material structure described by LiSr(BS2)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one S(1), one S(5), and two equivalent S(3) atoms to form corner-sharing LiS4 tetrahedra. Sr(1) is bonded in a 10-coordinate geometry to one B(3), one S(2), one S(3), one S(6), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one S(2), one S(5), and one S(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one S(2), one S(3), and one S(4) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one Sr(1), one S(1), one S(4), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sr(1), and one B(3) atom. In the second S site, S(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(2) atom. In the third S site, S(3) is bonded to two equivalent Li(1), one Sr(1), and one B(2) atom to form distorted SSrLi2B tetrahedra that share corners with two equivalent S(5)Sr2LiB tetrahedra, corners with two equivalent S(3)SrLi2B tetrahedra, and  an edgeedge with one S(5)Sr2LiB tetrahedra. In the fourth S site, S(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(1), one B(2), and one B(3) atom. In the fifth S site, S(5) is bonded to one Li(1), two equivalent Sr(1), and one B(1) atom to form distorted SSr2LiB tetrahedra that share corners with two equivalent S(5)Sr2LiB tetrahedra, corners with two equivalent S(3)SrLi2B tetrahedra, and  an edgeedge with one S(3)SrLi2B tetrahedra. In the sixth S site, S(6) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(1), and one B(3) atom. is represented by the CIF card [CIF]
data_SrLi(BS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   8.733
_cell_length_c   8.071
_cell_angle_alpha   66.733
_cell_angle_beta   66.733
_cell_angle_gamma   60.354
_symmetry_Int_Tables_number   1
_cell_volume   475.844
_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
  Sr  Sr0  1  0.860  0.621  0.025  1.0
  Sr  Sr1  1  0.621  0.860  0.525  1.0
  Li  Li2  1  0.510  0.294  0.062  1.0
  Li  Li3  1  0.294  0.510  0.562  1.0
  B  B4  1  0.988  0.971  0.061  1.0
  B  B5  1  0.240  0.161  0.957  1.0
  B  B6  1  0.161  0.240  0.457  1.0
  B  B7  1  0.396  0.755  0.973  1.0
  B  B8  1  0.971  0.988  0.561  1.0
  B  B9  1  0.755  0.396  0.473  1.0
  S  S10  1  0.563  0.595  0.409  1.0
  S  S11  1  0.007  0.183  0.012  1.0
  S  S12  1  0.363  0.264  0.421  1.0
  S  S13  1  0.444  0.952  0.928  1.0
  S  S14  1  0.978  0.766  0.605  1.0
  S  S15  1  0.952  0.444  0.428  1.0
  S  S16  1  0.595  0.563  0.909  1.0
  S  S17  1  0.264  0.363  0.921  1.0
  S  S18  1  0.173  0.746  0.065  1.0
  S  S19  1  0.746  0.173  0.565  1.0
  S  S20  1  0.183  0.007  0.512  1.0
  S  S21  1  0.766  0.978  0.105  1.0
[/CIF]
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