The material described by Na2Li5Sn4 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 11-coordinate geometry to one Li(3), one Li(4), three equivalent Li(5), three equivalent Sn(3), and three equivalent Sn(4) atoms. In the second Na site, Na(2) is bonded in a distorted q6 geometry to three equivalent Li(4), three equivalent Sn(1), and three equivalent Sn(4) atoms. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(5) and three equivalent Sn(2) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Li(4) and four equivalent Sn(1) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Na(1), one Sn(2), and three equivalent Sn(3) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Na(1), three equivalent Na(2), one Li(2), three equivalent Sn(1), and three equivalent Sn(4) atoms. In the fifth Li site, Li(5) is bonded in a distorted body-centered cubic geometry to three equivalent Na(1), one Li(1), one Sn(4), and three equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to three equivalent Na(2), three equivalent Li(4), four equivalent Li(2), and one Sn(4) atom. In the second Sn site, Sn(2) is bonded to one Li(3) and three equivalent Li(1) atoms to form distorted corner-sharing SnLi4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Na(1), three equivalent Li(3), and three equivalent Li(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 11-coordinate geometry to three equivalent Na(1), three equivalent Na(2), one Li(5), three equivalent Li(4), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Li5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.394
_cell_length_b   24.394
_cell_length_c   24.394
_cell_angle_alpha   11.707
_cell_angle_beta   11.707
_cell_angle_gamma   11.707
_symmetry_Int_Tables_number   1
_cell_volume   519.358
_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
  Na  Na0  1  0.242  0.242  0.242  1.0
  Na  Na1  1  0.047  0.047  0.047  1.0
  Na  Na2  1  0.953  0.953  0.953  1.0
  Na  Na3  1  0.758  0.758  0.758  1.0
  Li  Li4  1  0.521  0.521  0.521  1.0
  Li  Li5  1  0.323  0.323  0.323  1.0
  Li  Li6  1  0.200  0.200  0.200  1.0
  Li  Li7  1  0.284  0.284  0.284  1.0
  Li  Li8  1  0.677  0.677  0.677  1.0
  Li  Li9  1  0.559  0.559  0.559  1.0
  Li  Li10  1  0.800  0.800  0.800  1.0
  Li  Li11  1  0.479  0.479  0.479  1.0
  Li  Li12  1  0.441  0.441  0.441  1.0
  Li  Li13  1  0.716  0.716  0.716  1.0
  Sn  Sn14  1  0.362  0.362  0.362  1.0
  Sn  Sn15  1  0.840  0.840  0.840  1.0
  Sn  Sn16  1  0.638  0.638  0.638  1.0
  Sn  Sn17  1  0.880  0.880  0.880  1.0
  Sn  Sn18  1  0.401  0.401  0.401  1.0
  Sn  Sn19  1  0.120  0.120  0.120  1.0
  Sn  Sn20  1  0.160  0.160  0.160  1.0
  Sn  Sn21  1  0.599  0.599  0.599  1.0
[/CIF]
.
The material described by Na2Li5Sn4 crystallizes in the trigonal R-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 11-coordinate geometry to one Li(3), one Li(4), three equivalent Li(5), three equivalent Sn(3), and three equivalent Sn(4) atoms. In the second Na site, Na(2) is bonded in a distorted q6 geometry to three equivalent Li(4), three equivalent Sn(1), and three equivalent Sn(4) atoms. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(5) and three equivalent Sn(2) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Li(4) and four equivalent Sn(1) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Na(1), one Sn(2), and three equivalent Sn(3) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Na(1), three equivalent Na(2), one Li(2), three equivalent Sn(1), and three equivalent Sn(4) atoms. In the fifth Li site, Li(5) is bonded in a distorted body-centered cubic geometry to three equivalent Na(1), one Li(1), one Sn(4), and three equivalent Sn(3) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to three equivalent Na(2), three equivalent Li(4), four equivalent Li(2), and one Sn(4) atom. In the second Sn site, Sn(2) is bonded to one Li(3) and three equivalent Li(1) atoms to form distorted corner-sharing SnLi4 tetrahedra. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Na(1), three equivalent Li(3), and three equivalent Li(5) atoms. In the fourth Sn site, Sn(4) is bonded in a 11-coordinate geometry to three equivalent Na(1), three equivalent Na(2), one Li(5), three equivalent Li(4), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Li5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.394
_cell_length_b   24.394
_cell_length_c   24.394
_cell_angle_alpha   11.707
_cell_angle_beta   11.707
_cell_angle_gamma   11.707
_symmetry_Int_Tables_number   1
_cell_volume   519.358
_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
  Na  Na0  1  0.242  0.242  0.242  1.0
  Na  Na1  1  0.047  0.047  0.047  1.0
  Na  Na2  1  0.953  0.953  0.953  1.0
  Na  Na3  1  0.758  0.758  0.758  1.0
  Li  Li4  1  0.521  0.521  0.521  1.0
  Li  Li5  1  0.323  0.323  0.323  1.0
  Li  Li6  1  0.200  0.200  0.200  1.0
  Li  Li7  1  0.284  0.284  0.284  1.0
  Li  Li8  1  0.677  0.677  0.677  1.0
  Li  Li9  1  0.559  0.559  0.559  1.0
  Li  Li10  1  0.800  0.800  0.800  1.0
  Li  Li11  1  0.479  0.479  0.479  1.0
  Li  Li12  1  0.441  0.441  0.441  1.0
  Li  Li13  1  0.716  0.716  0.716  1.0
  Sn  Sn14  1  0.362  0.362  0.362  1.0
  Sn  Sn15  1  0.840  0.840  0.840  1.0
  Sn  Sn16  1  0.638  0.638  0.638  1.0
  Sn  Sn17  1  0.880  0.880  0.880  1.0
  Sn  Sn18  1  0.401  0.401  0.401  1.0
  Sn  Sn19  1  0.120  0.120  0.120  1.0
  Sn  Sn20  1  0.160  0.160  0.160  1.0
  Sn  Sn21  1  0.599  0.599  0.599  1.0
[/CIF]
.