The structure described by Li5Yb4Sn5 crystallizes in the trigonal R3m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to one Yb(2), three equivalent Yb(1), one Sn(4), and three equivalent Sn(5) atoms. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to one Yb(3), three equivalent Yb(2), one Sn(5), and three equivalent Sn(2) atoms. In the third Li site, Li(3) is bonded in a 11-coordinate geometry to one Yb(4), three equivalent Yb(3), one Sn(2), three equivalent Sn(1), and three equivalent Sn(3) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent Li(5), three equivalent Yb(1), and three equivalent Sn(4) atoms. In the fifth Li site, Li(5) is bonded in a 11-coordinate geometry to three equivalent Li(4), one Yb(1), three equivalent Yb(4), one Sn(1), and three equivalent Sn(4) atoms. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 13-coordinate geometry to one Li(5), three equivalent Li(1), three equivalent Li(4), three equivalent Sn(4), and three equivalent Sn(5) atoms. In the second Yb site, Yb(2) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Sn(2), and three equivalent Sn(5) atoms. In the third Yb site, Yb(3) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(3), one Sn(1), three equivalent Sn(2), and three equivalent Sn(3) atoms. In the fourth Yb site, Yb(4) is bonded in a 8-coordinate geometry to one Li(3), three equivalent Li(5), one Sn(4), and three equivalent Sn(1) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to one Li(5), three equivalent Li(3), one Yb(3), three equivalent Yb(4), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(3), three equivalent Li(2), three equivalent Yb(2), and three equivalent Yb(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted trigonal planar geometry to three equivalent Li(3), three equivalent Yb(3), and three equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 11-coordinate geometry to one Li(1), three equivalent Li(4), three equivalent Li(5), one Yb(4), and three equivalent Yb(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Li5Yb4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.229
_cell_length_b   17.229
_cell_length_c   17.229
_cell_angle_alpha   16.331
_cell_angle_beta   16.331
_cell_angle_gamma   16.331
_symmetry_Int_Tables_number   1
_cell_volume   352.566
_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  0.960  0.960  0.960  1.0
  Li  Li1  1  0.554  0.554  0.554  1.0
  Li  Li2  1  0.138  0.138  0.138  1.0
  Li  Li3  1  0.683  0.683  0.683  1.0
  Li  Li4  1  0.372  0.372  0.372  1.0
  Yb  Yb5  1  0.310  0.310  0.310  1.0
  Yb  Yb6  1  0.902  0.902  0.902  1.0
  Yb  Yb7  1  0.501  0.501  0.501  1.0
  Yb  Yb8  1  0.074  0.074  0.074  1.0
  Sn  Sn9  1  0.436  0.436  0.436  1.0
  Sn  Sn10  1  0.199  0.199  0.199  1.0
  Sn  Sn11  1  0.797  0.797  0.797  1.0
  Sn  Sn12  1  0.015  0.015  0.015  1.0
  Sn  Sn13  1  0.609  0.609  0.609  1.0
[/CIF]
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The structure described by Li5Yb4Sn5 crystallizes in the trigonal R3m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to one Yb(2), three equivalent Yb(1), one Sn(4), and three equivalent Sn(5) atoms. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to one Yb(3), three equivalent Yb(2), one Sn(5), and three equivalent Sn(2) atoms. In the third Li site, Li(3) is bonded in a 11-coordinate geometry to one Yb(4), three equivalent Yb(3), one Sn(2), three equivalent Sn(1), and three equivalent Sn(3) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent Li(5), three equivalent Yb(1), and three equivalent Sn(4) atoms. In the fifth Li site, Li(5) is bonded in a 11-coordinate geometry to three equivalent Li(4), one Yb(1), three equivalent Yb(4), one Sn(1), and three equivalent Sn(4) atoms. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 13-coordinate geometry to one Li(5), three equivalent Li(1), three equivalent Li(4), three equivalent Sn(4), and three equivalent Sn(5) atoms. In the second Yb site, Yb(2) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Sn(2), and three equivalent Sn(5) atoms. In the third Yb site, Yb(3) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(3), one Sn(1), three equivalent Sn(2), and three equivalent Sn(3) atoms. In the fourth Yb site, Yb(4) is bonded in a 8-coordinate geometry to one Li(3), three equivalent Li(5), one Sn(4), and three equivalent Sn(1) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to one Li(5), three equivalent Li(3), one Yb(3), three equivalent Yb(4), and three equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Li(3), three equivalent Li(2), three equivalent Yb(2), and three equivalent Yb(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted trigonal planar geometry to three equivalent Li(3), three equivalent Yb(3), and three equivalent Sn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 11-coordinate geometry to one Li(1), three equivalent Li(4), three equivalent Li(5), one Yb(4), and three equivalent Yb(1) atoms. In the fifth Sn site, Sn(5) is bonded in a 10-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Yb(1), and three equivalent Yb(2) atoms. is represented by the CIF file [CIF]
data_Li5Yb4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.229
_cell_length_b   17.229
_cell_length_c   17.229
_cell_angle_alpha   16.331
_cell_angle_beta   16.331
_cell_angle_gamma   16.331
_symmetry_Int_Tables_number   1
_cell_volume   352.566
_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  0.960  0.960  0.960  1.0
  Li  Li1  1  0.554  0.554  0.554  1.0
  Li  Li2  1  0.138  0.138  0.138  1.0
  Li  Li3  1  0.683  0.683  0.683  1.0
  Li  Li4  1  0.372  0.372  0.372  1.0
  Yb  Yb5  1  0.310  0.310  0.310  1.0
  Yb  Yb6  1  0.902  0.902  0.902  1.0
  Yb  Yb7  1  0.501  0.501  0.501  1.0
  Yb  Yb8  1  0.074  0.074  0.074  1.0
  Sn  Sn9  1  0.436  0.436  0.436  1.0
  Sn  Sn10  1  0.199  0.199  0.199  1.0
  Sn  Sn11  1  0.797  0.797  0.797  1.0
  Sn  Sn12  1  0.015  0.015  0.015  1.0
  Sn  Sn13  1  0.609  0.609  0.609  1.0
[/CIF]
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