data_Li5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   96.66
_cell_angle_beta   96.66
_cell_angle_gamma   140.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Sb3
_chemical_formula_sum   'Li10 Sb6'
_cell_volume   336.07
_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  0.0  0.47  0.4  1.0
  Li  Li1  1  0.47  0.0  0.4  1.0
  Li  Li2  1  0.33  0.98  0.0  1.0
  Li  Li3  1  0.14  0.5  0.8  1.0
  Li  Li4  1  0.86  0.5  0.0  1.0
  Li  Li5  1  0.62  0.98  0.8  1.0
  Li  Li6  1  0.45  0.86  0.0  1.0
  Li  Li7  1  0.02  0.62  0.8  1.0
  Li  Li8  1  0.5  0.86  0.8  1.0
  Li  Li9  1  0.98  0.62  0.0  1.0
  Sb  Sb10  1  0.0  0.0  0.4  1.0
  Sb  Sb11  1  0.0  0.0  0.2  1.0
  Sb  Sb12  1  0.79  0.69  0.8  1.0
  Sb  Sb13  1  0.69  0.79  0.0  1.0
  Sb  Sb14  1  0.79  0.26  0.0  1.0
  Sb  Sb15  1  0.69  0.21  0.8  1.0

data_Li5Sb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   83.34
_cell_angle_beta   70.1
_cell_angle_gamma   70.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Sb3
_chemical_formula_sum   'Li10 Sb6'
_cell_volume   336.07
_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  0.0  0.47  0.6  1.0
  Li  Li1  1  0.47  0.53  0.6  1.0
  Li  Li2  1  0.5  0.36  -0.0  1.0
  Li  Li3  1  0.5  0.65  0.2  1.0
  Li  Li4  1  0.62  0.36  0.0  1.0
  Li  Li5  1  0.62  0.4  0.2  1.0
  Li  Li6  1  0.86  0.6  0.0  1.0
  Li  Li7  1  0.86  0.64  0.2  1.0
  Li  Li8  1  0.98  0.35  -0.0  1.0
  Li  Li9  1  0.98  0.64  0.2  1.0
  Sb  Sb10  1  0.0  0.0  0.6  1.0
  Sb  Sb11  1  0.0  0.0  0.8  1.0
  Sb  Sb12  1  0.21  0.47  0.2  1.0
  Sb  Sb13  1  0.26  0.53  -0.0  1.0
  Sb  Sb14  1  0.69  0.1  0.2  1.0
  Sb  Sb15  1  0.79  0.9  0.0  1.0

Li Li Li Li Li Li Li Li Li Li Sb Sb Sb Sb Sb Sb
Li5Sb3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1,2) is bonded in a distorted T-shaped geometry to two equivalent Li(1,2) and one Sb(5) atom. Both Li(1,2)-Li(1,2) bond lengths are 2.83 Å. The Li(1,2)-Sb(5) bond length is 3.11 Å. In the second Li site, Li(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(7), one Li(8), one Sb(3), one Sb(5), and one Sb(6) atom. The Li(3)-Li(10) bond length is 2.00 Å. The Li(3)-Li(7) bond length is 1.88 Å. The Li(3)-Li(8) bond length is 2.05 Å. The Li(3)-Sb(3) bond length is 3.06 Å. The Li(3)-Sb(5) bond length is 2.47 Å. The Li(3)-Sb(6) bond length is 2.84 Å. In the third Li site, Li(4) is bonded in a 6-coordinate geometry to one Li(7), one Li(8), one Li(9), one Sb(4), one Sb(5), and one Sb(6) atom. The Li(4)-Li(7) bond length is 2.05 Å. The Li(4)-Li(8) bond length is 1.88 Å. The Li(4)-Li(9) bond length is 2.00 Å. The Li(4)-Sb(4) bond length is 3.06 Å. The Li(4)-Sb(5) bond length is 2.84 Å. The Li(4)-Sb(6) bond length is 2.47 Å. In the fourth Li site, Li(5) is bonded in a 3-coordinate geometry to one Li(10), one Sb(3), one Sb(5), and one Sb(6) atom. The Li(5)-Li(10) bond length is 0.68 Å. The Li(5)-Sb(3) bond length is 2.67 Å. The Li(5)-Sb(5) bond length is 1.54 Å. The Li(5)-Sb(6) bond length is 1.91 Å. In the fifth Li site, Li(6) is bonded in a 3-coordinate geometry to one Li(9), one Sb(4), one Sb(5), and one Sb(6) atom. The Li(6)-Li(9) bond length is 0.68 Å. The Li(6)-Sb(4) bond length is 2.67 Å. The Li(6)-Sb(5) bond length is 1.91 Å. The Li(6)-Sb(6) bond length is 1.54 Å. In the sixth Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(9), one Sb(4), and one Sb(5) atom. The Li(7)-Li(9) bond length is 1.70 Å. The Li(7)-Sb(4) bond length is 2.40 Å. The Li(7)-Sb(5) bond length is 2.15 Å. In the seventh Li site, Li(8) is bonded in a 5-coordinate geometry to one Li(10), one Li(3), one Li(4), one Sb(3), and one Sb(6) atom. The Li(8)-Li(10) bond length is 1.70 Å. The Li(8)-Sb(3) bond length is 2.40 Å. The Li(8)-Sb(6) bond length is 2.15 Å. In the eighth Li site, Li(9) is bonded in a 1-coordinate geometry to one Li(4), one Li(6), one Li(7), and one Sb(4) atom. The Li(9)-Sb(4) bond length is 2.53 Å. In the ninth Li site, Li(10) is bonded in a distorted single-bond geometry to one Li(3), one Li(5), one Li(8), one Sb(2), and one Sb(3) atom. The Li(10)-Sb(2) bond length is 3.25 Å. The Li(10)-Sb(3) bond length is 2.53 Å. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.62 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Li(10), one Sb(1), and one Sb(4) atom. The Sb(2)-Sb(4) bond length is 1.98 Å. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Li(10), one Li(3), one Li(5), one Li(8), and one Sb(4) atom. The Sb(3)-Sb(4) bond length is 2.25 Å. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to one Li(4), one Li(6), one Li(7), one Li(9), one Sb(2), and one Sb(3) atom. In the fifth Sb site, Sb(5) is bonded in a distorted single-bond geometry to one Li(1,2); one Li(3); one Li(4); one Li(5); one Li(6); and one Li(7) atom. In the sixth Sb site, Sb(6) is bonded in a distorted single-bond geometry to one Li(1,2); one Li(3); one Li(4); one Li(5); one Li(6); and one Li(8) atom. The Sb(6)-Li(1,2) bond length is 3.11 Å.