The crystal structure described by Li17(AgSn2)3 crystallizes in the trigonal P31m space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 10-coordinate geometry to one Li(5), two equivalent Li(3), two equivalent Li(6), one Ag(1), one Sn(2), and three equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent Li(4), two equivalent Ag(2), one Sn(1), and three equivalent Sn(2) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Ag(2), one Sn(1), and three equivalent Sn(2) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Li(6), three equivalent Li(2), three equivalent Li(5), one Ag(2), and three equivalent Sn(1) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(4), one Ag(1), one Sn(2), and three equivalent Sn(1) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Li(4), three equivalent Li(1), one Ag(2), and three equivalent Sn(1) atoms. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one Ag(1) and three equivalent Sn(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 10-coordinate geometry to one Li(7), three equivalent Li(1), three equivalent Li(5), and three equivalent Sn(1) atoms. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to one Li(4), one Li(6), three equivalent Li(2), three equivalent Li(3), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 13-coordinate geometry to one Li(2), one Li(3), two equivalent Li(4), two equivalent Li(6), three equivalent Li(1), three equivalent Li(5), and one Ag(1) atom. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to one Li(1), one Li(5), one Li(7), three equivalent Li(2), three equivalent Li(3), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17(AgSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.073
_cell_length_b   8.073
_cell_length_c   8.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   481.370
_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
  Li  Li0  1  0.000  0.299  0.330  1.0
  Li  Li1  1  0.299  0.000  0.330  1.0
  Li  Li2  1  0.648  0.000  0.832  1.0
  Li  Li3  1  0.000  0.655  0.155  1.0
  Li  Li4  1  0.345  0.345  0.155  1.0
  Li  Li5  1  0.701  0.701  0.330  1.0
  Li  Li6  1  0.333  0.667  0.667  1.0
  Li  Li7  1  0.000  0.310  0.650  1.0
  Li  Li8  1  0.333  0.667  0.339  1.0
  Li  Li9  1  0.310  0.000  0.650  1.0
  Li  Li10  1  0.000  0.648  0.832  1.0
  Li  Li11  1  0.667  0.333  0.339  1.0
  Li  Li12  1  0.352  0.352  0.832  1.0
  Li  Li13  1  0.655  0.000  0.155  1.0
  Li  Li14  1  0.690  0.690  0.650  1.0
  Li  Li15  1  0.667  0.333  0.667  1.0
  Li  Li16  1  0.000  0.000  0.857  1.0
  Ag  Ag17  1  0.000  0.000  0.505  1.0
  Ag  Ag18  1  0.333  0.667  0.001  1.0
  Ag  Ag19  1  0.667  0.333  0.001  1.0
  Sn  Sn20  1  0.000  0.645  0.496  1.0
  Sn  Sn21  1  0.645  0.000  0.496  1.0
  Sn  Sn22  1  0.315  0.000  0.991  1.0
  Sn  Sn23  1  0.354  0.354  0.496  1.0
  Sn  Sn24  1  0.000  0.315  0.991  1.0
  Sn  Sn25  1  0.685  0.685  0.991  1.0
[/CIF]
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The crystal structure described by Li17(AgSn2)3 crystallizes in the trigonal P31m space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 10-coordinate geometry to one Li(5), two equivalent Li(3), two equivalent Li(6), one Ag(1), one Sn(2), and three equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent Li(4), two equivalent Ag(2), one Sn(1), and three equivalent Sn(2) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Ag(2), one Sn(1), and three equivalent Sn(2) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Li(6), three equivalent Li(2), three equivalent Li(5), one Ag(2), and three equivalent Sn(1) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(4), one Ag(1), one Sn(2), and three equivalent Sn(1) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Li(4), three equivalent Li(1), one Ag(2), and three equivalent Sn(1) atoms. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one Ag(1) and three equivalent Sn(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 10-coordinate geometry to one Li(7), three equivalent Li(1), three equivalent Li(5), and three equivalent Sn(1) atoms. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to one Li(4), one Li(6), three equivalent Li(2), three equivalent Li(3), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 13-coordinate geometry to one Li(2), one Li(3), two equivalent Li(4), two equivalent Li(6), three equivalent Li(1), three equivalent Li(5), and one Ag(1) atom. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to one Li(1), one Li(5), one Li(7), three equivalent Li(2), three equivalent Li(3), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17(AgSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.073
_cell_length_b   8.073
_cell_length_c   8.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   481.370
_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
  Li  Li0  1  0.000  0.299  0.330  1.0
  Li  Li1  1  0.299  0.000  0.330  1.0
  Li  Li2  1  0.648  0.000  0.832  1.0
  Li  Li3  1  0.000  0.655  0.155  1.0
  Li  Li4  1  0.345  0.345  0.155  1.0
  Li  Li5  1  0.701  0.701  0.330  1.0
  Li  Li6  1  0.333  0.667  0.667  1.0
  Li  Li7  1  0.000  0.310  0.650  1.0
  Li  Li8  1  0.333  0.667  0.339  1.0
  Li  Li9  1  0.310  0.000  0.650  1.0
  Li  Li10  1  0.000  0.648  0.832  1.0
  Li  Li11  1  0.667  0.333  0.339  1.0
  Li  Li12  1  0.352  0.352  0.832  1.0
  Li  Li13  1  0.655  0.000  0.155  1.0
  Li  Li14  1  0.690  0.690  0.650  1.0
  Li  Li15  1  0.667  0.333  0.667  1.0
  Li  Li16  1  0.000  0.000  0.857  1.0
  Ag  Ag17  1  0.000  0.000  0.505  1.0
  Ag  Ag18  1  0.333  0.667  0.001  1.0
  Ag  Ag19  1  0.667  0.333  0.001  1.0
  Sn  Sn20  1  0.000  0.645  0.496  1.0
  Sn  Sn21  1  0.645  0.000  0.496  1.0
  Sn  Sn22  1  0.315  0.000  0.991  1.0
  Sn  Sn23  1  0.354  0.354  0.496  1.0
  Sn  Sn24  1  0.000  0.315  0.991  1.0
  Sn  Sn25  1  0.685  0.685  0.991  1.0
[/CIF]
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