The material structure described by LiSrBS3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Li(1), three equivalent Sr(1), and one B(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiBS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.589
_cell_length_c   9.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.196
_cell_formula_units_Z   4
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  0.028  0.143  0.250  1.0
  Sr  Sr1  1  0.528  0.357  0.750  1.0
  Sr  Sr2  1  0.472  0.643  0.250  1.0
  Sr  Sr3  1  0.972  0.857  0.750  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.000  0.500  0.500  1.0
  Li  Li7  1  0.000  0.500  0.000  1.0
  B  B8  1  0.038  0.714  0.250  1.0
  B  B9  1  0.462  0.214  0.250  1.0
  B  B10  1  0.538  0.786  0.750  1.0
  B  B11  1  0.962  0.286  0.750  1.0
  S  S12  1  0.869  0.196  0.580  1.0
  S  S13  1  0.131  0.804  0.420  1.0
  S  S14  1  0.131  0.804  0.080  1.0
  S  S15  1  0.879  0.524  0.250  1.0
  S  S16  1  0.379  0.976  0.750  1.0
  S  S17  1  0.621  0.024  0.250  1.0
  S  S18  1  0.631  0.696  0.920  1.0
  S  S19  1  0.631  0.696  0.580  1.0
  S  S20  1  0.121  0.476  0.750  1.0
  S  S21  1  0.369  0.304  0.420  1.0
  S  S22  1  0.369  0.304  0.080  1.0
  S  S23  1  0.869  0.196  0.920  1.0
[/CIF]
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The material structure described by LiSrBS3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent S(1) and two equivalent S(2) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Li(1), three equivalent Sr(1), and one B(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Sr(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiBS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.114
_cell_length_b   7.589
_cell_length_c   9.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   495.196
_cell_formula_units_Z   4
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  0.028  0.143  0.250  1.0
  Sr  Sr1  1  0.528  0.357  0.750  1.0
  Sr  Sr2  1  0.472  0.643  0.250  1.0
  Sr  Sr3  1  0.972  0.857  0.750  1.0
  Li  Li4  1  0.500  0.000  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.000  0.500  0.500  1.0
  Li  Li7  1  0.000  0.500  0.000  1.0
  B  B8  1  0.038  0.714  0.250  1.0
  B  B9  1  0.462  0.214  0.250  1.0
  B  B10  1  0.538  0.786  0.750  1.0
  B  B11  1  0.962  0.286  0.750  1.0
  S  S12  1  0.869  0.196  0.580  1.0
  S  S13  1  0.131  0.804  0.420  1.0
  S  S14  1  0.131  0.804  0.080  1.0
  S  S15  1  0.879  0.524  0.250  1.0
  S  S16  1  0.379  0.976  0.750  1.0
  S  S17  1  0.621  0.024  0.250  1.0
  S  S18  1  0.631  0.696  0.920  1.0
  S  S19  1  0.631  0.696  0.580  1.0
  S  S20  1  0.121  0.476  0.750  1.0
  S  S21  1  0.369  0.304  0.420  1.0
  S  S22  1  0.369  0.304  0.080  1.0
  S  S23  1  0.869  0.196  0.920  1.0
[/CIF]
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