The material structure described by Yb8Ge3Sb5 crystallizes in the orthorhombic Fmmm space group. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fifth Yb site, Yb(5) is bonded to one Ge(1), one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms to form a mixture of distorted face, corner, and edge-sharing YbGeSb6 pentagonal bipyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Yb(5), two equivalent Yb(1), two equivalent Yb(4), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(4), and four equivalent Ge(1) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), two equivalent Yb(4), and two equivalent Yb(5) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Yb(3), two equivalent Yb(5), and four equivalent Yb(4) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Yb(2), two equivalent Yb(5), and four equivalent Yb(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), four equivalent Yb(5), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb8Ge3Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.827
_cell_length_b   11.827
_cell_length_c   11.812
_cell_angle_alpha   94.698
_cell_angle_beta   94.697
_cell_angle_gamma   146.720
_symmetry_Int_Tables_number   1
_cell_volume   868.818
_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
  Yb  Yb0  1  0.602  0.398  0.500  1.0
  Yb  Yb1  1  0.629  0.629  0.257  1.0
  Yb  Yb2  1  0.898  0.102  0.500  1.0
  Yb  Yb3  1  0.628  0.372  0.000  1.0
  Yb  Yb4  1  0.102  0.602  0.204  1.0
  Yb  Yb5  1  0.812  1.000  0.812  1.0
  Yb  Yb6  1  0.398  0.898  0.796  1.0
  Yb  Yb7  1  0.602  0.102  0.204  1.0
  Yb  Yb8  1  0.898  0.398  0.796  1.0
  Yb  Yb9  1  1.000  0.812  0.812  1.0
  Yb  Yb10  1  0.398  0.602  0.500  1.0
  Yb  Yb11  1  0.188  0.000  0.188  1.0
  Yb  Yb12  1  0.000  0.188  0.188  1.0
  Yb  Yb13  1  0.371  0.371  0.743  1.0
  Yb  Yb14  1  0.102  0.898  0.500  1.0
  Yb  Yb15  1  0.372  0.628  0.000  1.0
  Ge  Ge16  1  0.615  1.000  0.615  1.0
  Ge  Ge17  1  0.000  0.385  0.385  1.0
  Ge  Ge18  1  1.000  0.615  0.615  1.0
  Ge  Ge19  1  0.385  0.000  0.385  1.0
  Ge  Ge20  1  0.250  0.750  0.500  1.0
  Ge  Ge21  1  0.750  0.250  0.500  1.0
  Sb  Sb22  1  0.769  0.500  0.270  1.0
  Sb  Sb23  1  0.194  0.806  1.000  1.0
  Sb  Sb24  1  0.806  0.194  0.000  1.0
  Sb  Sb25  1  0.806  0.806  0.612  1.0
  Sb  Sb26  1  0.500  0.231  0.730  1.0
  Sb  Sb27  1  0.194  0.194  0.388  1.0
  Sb  Sb28  1  0.500  0.769  0.270  1.0
  Sb  Sb29  1  0.224  0.224  0.000  1.0
  Sb  Sb30  1  0.231  0.500  0.730  1.0
  Sb  Sb31  1  0.776  0.776  1.000  1.0
[/CIF]
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The material structure described by Yb8Ge3Sb5 crystallizes in the orthorhombic Fmmm space group. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fifth Yb site, Yb(5) is bonded to one Ge(1), one Sb(2), one Sb(3), two equivalent Sb(1), and two equivalent Sb(4) atoms to form a mixture of distorted face, corner, and edge-sharing YbGeSb6 pentagonal bipyramids. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Yb(5), two equivalent Yb(1), two equivalent Yb(4), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(4), and four equivalent Ge(1) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Yb(2), one Yb(3), two equivalent Yb(1), two equivalent Yb(4), and two equivalent Yb(5) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Yb(3), two equivalent Yb(5), and four equivalent Yb(4) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Yb(2), two equivalent Yb(5), and four equivalent Yb(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), four equivalent Yb(5), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb8Ge3Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.827
_cell_length_b   11.827
_cell_length_c   11.812
_cell_angle_alpha   94.698
_cell_angle_beta   94.697
_cell_angle_gamma   146.720
_symmetry_Int_Tables_number   1
_cell_volume   868.818
_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
  Yb  Yb0  1  0.602  0.398  0.500  1.0
  Yb  Yb1  1  0.629  0.629  0.257  1.0
  Yb  Yb2  1  0.898  0.102  0.500  1.0
  Yb  Yb3  1  0.628  0.372  0.000  1.0
  Yb  Yb4  1  0.102  0.602  0.204  1.0
  Yb  Yb5  1  0.812  1.000  0.812  1.0
  Yb  Yb6  1  0.398  0.898  0.796  1.0
  Yb  Yb7  1  0.602  0.102  0.204  1.0
  Yb  Yb8  1  0.898  0.398  0.796  1.0
  Yb  Yb9  1  1.000  0.812  0.812  1.0
  Yb  Yb10  1  0.398  0.602  0.500  1.0
  Yb  Yb11  1  0.188  0.000  0.188  1.0
  Yb  Yb12  1  0.000  0.188  0.188  1.0
  Yb  Yb13  1  0.371  0.371  0.743  1.0
  Yb  Yb14  1  0.102  0.898  0.500  1.0
  Yb  Yb15  1  0.372  0.628  0.000  1.0
  Ge  Ge16  1  0.615  1.000  0.615  1.0
  Ge  Ge17  1  0.000  0.385  0.385  1.0
  Ge  Ge18  1  1.000  0.615  0.615  1.0
  Ge  Ge19  1  0.385  0.000  0.385  1.0
  Ge  Ge20  1  0.250  0.750  0.500  1.0
  Ge  Ge21  1  0.750  0.250  0.500  1.0
  Sb  Sb22  1  0.769  0.500  0.270  1.0
  Sb  Sb23  1  0.194  0.806  1.000  1.0
  Sb  Sb24  1  0.806  0.194  0.000  1.0
  Sb  Sb25  1  0.806  0.806  0.612  1.0
  Sb  Sb26  1  0.500  0.231  0.730  1.0
  Sb  Sb27  1  0.194  0.194  0.388  1.0
  Sb  Sb28  1  0.500  0.769  0.270  1.0
  Sb  Sb29  1  0.224  0.224  0.000  1.0
  Sb  Sb30  1  0.231  0.500  0.730  1.0
  Sb  Sb31  1  0.776  0.776  1.000  1.0
[/CIF]
.