The compound described by LiSnSb crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(2), one Sn(2), three equivalent Sn(1), one Sb(2), and two equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), one Sn(2), three equivalent Sn(1), and three equivalent Sb(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), one Sb(2), and two equivalent Sb(1) atoms. In the second Sn site, Sn(2) is bonded in a distorted pentagonal bipyramidal geometry to one Li(2), three equivalent Li(1), and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one Sn(2), and two equivalent Sn(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_LiSnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.200
_cell_length_b   9.200
_cell_length_c   8.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.478
_cell_formula_units_Z   8
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  0.172  0.345  0.396  1.0
  Li  Li1  1  0.172  0.828  0.396  1.0
  Li  Li2  1  0.655  0.828  0.396  1.0
  Li  Li3  1  0.828  0.655  0.896  1.0
  Li  Li4  1  0.828  0.172  0.896  1.0
  Li  Li5  1  0.345  0.172  0.896  1.0
  Li  Li6  1  0.333  0.667  0.537  1.0
  Li  Li7  1  0.667  0.333  0.037  1.0
  Sn  Sn8  1  0.168  0.335  0.749  1.0
  Sn  Sn9  1  0.168  0.832  0.749  1.0
  Sn  Sn10  1  0.665  0.832  0.749  1.0
  Sn  Sn11  1  0.832  0.665  0.249  1.0
  Sn  Sn12  1  0.832  0.168  0.249  1.0
  Sn  Sn13  1  0.335  0.168  0.249  1.0
  Sn  Sn14  1  0.333  0.667  0.171  1.0
  Sn  Sn15  1  0.667  0.333  0.671  1.0
  Sb  Sb16  1  0.517  0.034  0.458  1.0
  Sb  Sb17  1  0.517  0.483  0.458  1.0
  Sb  Sb18  1  0.966  0.483  0.458  1.0
  Sb  Sb19  1  0.483  0.966  0.958  1.0
  Sb  Sb20  1  0.483  0.517  0.958  1.0
  Sb  Sb21  1  0.034  0.517  0.958  1.0
  Sb  Sb22  1  0.000  0.000  0.454  1.0
  Sb  Sb23  1  0.000  0.000  0.954  1.0
[/CIF]
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The compound described by LiSnSb crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(2), one Sn(2), three equivalent Sn(1), one Sb(2), and two equivalent Sb(1) atoms. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), one Sn(2), three equivalent Sn(1), and three equivalent Sb(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), one Sb(2), and two equivalent Sb(1) atoms. In the second Sn site, Sn(2) is bonded in a distorted pentagonal bipyramidal geometry to one Li(2), three equivalent Li(1), and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one Sn(2), and two equivalent Sn(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted trigonal planar geometry to three equivalent Li(1) and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_LiSnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.200
_cell_length_b   9.200
_cell_length_c   8.328
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.478
_cell_formula_units_Z   8
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  0.172  0.345  0.396  1.0
  Li  Li1  1  0.172  0.828  0.396  1.0
  Li  Li2  1  0.655  0.828  0.396  1.0
  Li  Li3  1  0.828  0.655  0.896  1.0
  Li  Li4  1  0.828  0.172  0.896  1.0
  Li  Li5  1  0.345  0.172  0.896  1.0
  Li  Li6  1  0.333  0.667  0.537  1.0
  Li  Li7  1  0.667  0.333  0.037  1.0
  Sn  Sn8  1  0.168  0.335  0.749  1.0
  Sn  Sn9  1  0.168  0.832  0.749  1.0
  Sn  Sn10  1  0.665  0.832  0.749  1.0
  Sn  Sn11  1  0.832  0.665  0.249  1.0
  Sn  Sn12  1  0.832  0.168  0.249  1.0
  Sn  Sn13  1  0.335  0.168  0.249  1.0
  Sn  Sn14  1  0.333  0.667  0.171  1.0
  Sn  Sn15  1  0.667  0.333  0.671  1.0
  Sb  Sb16  1  0.517  0.034  0.458  1.0
  Sb  Sb17  1  0.517  0.483  0.458  1.0
  Sb  Sb18  1  0.966  0.483  0.458  1.0
  Sb  Sb19  1  0.483  0.966  0.958  1.0
  Sb  Sb20  1  0.483  0.517  0.958  1.0
  Sb  Sb21  1  0.034  0.517  0.958  1.0
  Sb  Sb22  1  0.000  0.000  0.454  1.0
  Sb  Sb23  1  0.000  0.000  0.954  1.0
[/CIF]
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