data_SrLiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiB2
_chemical_formula_sum   'Sr1 Li1 B2'
_cell_volume   63.54
_cell_formula_units_Z   1
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  Sr3  1  0.0  0.0  0.9  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.65  0.65  0.0  1.0
  B  B1  1  0.65  0.65  0.8  1.0

data_SrLiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLiB2
_chemical_formula_sum   'Sr2 Li2 B4'
_cell_volume   127.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.9  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.15  0.5  0.0  1.0
  B  B3  2  0.15  0.5  0.8  1.0

Sr Li B B
Sr Li B B 0 1 o o + 2 3 o o - 
LiSrB2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiSrB2 clusters. Li(1) is bonded in a distorted single-bond geometry to one Sr(1) and one B(1) atom. The Li(1)-Sr(1) bond length is 0.57 Å. The Li(1)-B(1) bond length is 1.62 Å. Sr(1) is bonded in a distorted single-bond geometry to one Li(1) and one B(2) atom. The Sr(1)-B(2) bond length is 1.72 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one Li(1) and one B(2) atom. The B(1)-B(2) bond length is 1.18 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to one Sr(1) and one B(1) atom.