The compound described by Zr5SiSb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Si(1) and five equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing ZrSi2Sb5 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Si(1) is bonded to six equivalent Zr(1) atoms to form face-sharing SiZr6 octahedra. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5SiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.637
_cell_length_b   8.637
_cell_length_c   5.848
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.842
_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
  Zr  Zr0  1  0.260  0.000  0.250  1.0
  Zr  Zr1  1  0.260  0.260  0.750  1.0
  Zr  Zr2  1  0.000  0.740  0.750  1.0
  Zr  Zr3  1  0.000  0.260  0.250  1.0
  Zr  Zr4  1  0.740  0.740  0.250  1.0
  Zr  Zr5  1  0.740  0.000  0.750  1.0
  Zr  Zr6  1  0.333  0.667  0.000  1.0
  Zr  Zr7  1  0.667  0.333  0.500  1.0
  Zr  Zr8  1  0.667  0.333  0.000  1.0
  Zr  Zr9  1  0.333  0.667  0.500  1.0
  Si  Si10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.605  0.000  0.250  1.0
  Sb  Sb13  1  0.605  0.605  0.750  1.0
  Sb  Sb14  1  0.000  0.395  0.750  1.0
  Sb  Sb15  1  0.000  0.605  0.250  1.0
  Sb  Sb16  1  0.395  0.395  0.250  1.0
  Sb  Sb17  1  0.395  0.000  0.750  1.0
[/CIF]
.
The compound described by Zr5SiSb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Si(1) and five equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing ZrSi2Sb5 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Sb(1) atoms. Si(1) is bonded to six equivalent Zr(1) atoms to form face-sharing SiZr6 octahedra. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr5SiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.637
_cell_length_b   8.637
_cell_length_c   5.848
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.842
_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
  Zr  Zr0  1  0.260  0.000  0.250  1.0
  Zr  Zr1  1  0.260  0.260  0.750  1.0
  Zr  Zr2  1  0.000  0.740  0.750  1.0
  Zr  Zr3  1  0.000  0.260  0.250  1.0
  Zr  Zr4  1  0.740  0.740  0.250  1.0
  Zr  Zr5  1  0.740  0.000  0.750  1.0
  Zr  Zr6  1  0.333  0.667  0.000  1.0
  Zr  Zr7  1  0.667  0.333  0.500  1.0
  Zr  Zr8  1  0.667  0.333  0.000  1.0
  Zr  Zr9  1  0.333  0.667  0.500  1.0
  Si  Si10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.605  0.000  0.250  1.0
  Sb  Sb13  1  0.605  0.605  0.750  1.0
  Sb  Sb14  1  0.000  0.395  0.750  1.0
  Sb  Sb15  1  0.000  0.605  0.250  1.0
  Sb  Sb16  1  0.395  0.395  0.250  1.0
  Sb  Sb17  1  0.395  0.000  0.750  1.0
[/CIF]
.