The crystal structure described by Zr5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form distorted ZrSb5 square pyramids that share corners with four equivalent Zr(2)Sb6 octahedra, edges with two equivalent Zr(1)Sb5 square pyramids, and faces with two equivalent Zr(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second Zr site, Zr(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form distorted ZrSb6 octahedra that share corners with six equivalent Zr(2)Sb6 octahedra, corners with four equivalent Zr(1)Sb5 square pyramids, and faces with two equivalent Zr(1)Sb5 square pyramids. The corner-sharing octahedral tilt angles range from 30-48°. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(2), and four equivalent Zr(4) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and three equivalent Zr(4) atoms. is represented by the CIF card [CIF]
data_Zr5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   8.850
_cell_length_c   10.845
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.327
_cell_formula_units_Z   4
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  0.472  0.750  0.497  1.0
  Zr  Zr1  1  0.972  0.250  0.003  1.0
  Zr  Zr2  1  0.528  0.250  0.503  1.0
  Zr  Zr3  1  0.028  0.750  0.997  1.0
  Zr  Zr4  1  0.319  0.750  0.767  1.0
  Zr  Zr5  1  0.819  0.250  0.733  1.0
  Zr  Zr6  1  0.681  0.250  0.233  1.0
  Zr  Zr7  1  0.181  0.750  0.267  1.0
  Zr  Zr8  1  0.173  0.250  0.289  1.0
  Zr  Zr9  1  0.673  0.750  0.211  1.0
  Zr  Zr10  1  0.827  0.750  0.711  1.0
  Zr  Zr11  1  0.327  0.250  0.789  1.0
  Zr  Zr12  1  0.199  0.444  0.553  1.0
  Zr  Zr13  1  0.699  0.556  0.947  1.0
  Zr  Zr14  1  0.801  0.944  0.447  1.0
  Zr  Zr15  1  0.301  0.056  0.053  1.0
  Zr  Zr16  1  0.801  0.556  0.447  1.0
  Zr  Zr17  1  0.301  0.444  0.053  1.0
  Zr  Zr18  1  0.199  0.056  0.553  1.0
  Zr  Zr19  1  0.699  0.944  0.947  1.0
  Sb  Sb20  1  0.089  0.750  0.525  1.0
  Sb  Sb21  1  0.589  0.250  0.975  1.0
  Sb  Sb22  1  0.911  0.250  0.475  1.0
  Sb  Sb23  1  0.411  0.750  0.025  1.0
  Sb  Sb24  1  0.066  0.008  0.822  1.0
  Sb  Sb25  1  0.566  0.992  0.678  1.0
  Sb  Sb26  1  0.934  0.508  0.178  1.0
  Sb  Sb27  1  0.434  0.492  0.322  1.0
  Sb  Sb28  1  0.934  0.992  0.178  1.0
  Sb  Sb29  1  0.434  0.008  0.322  1.0
  Sb  Sb30  1  0.066  0.492  0.822  1.0
  Sb  Sb31  1  0.566  0.508  0.678  1.0
[/CIF]
.
The crystal structure described by Zr5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form distorted ZrSb5 square pyramids that share corners with four equivalent Zr(2)Sb6 octahedra, edges with two equivalent Zr(1)Sb5 square pyramids, and faces with two equivalent Zr(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second Zr site, Zr(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form distorted ZrSb6 octahedra that share corners with six equivalent Zr(2)Sb6 octahedra, corners with four equivalent Zr(1)Sb5 square pyramids, and faces with two equivalent Zr(1)Sb5 square pyramids. The corner-sharing octahedral tilt angles range from 30-48°. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. In the fourth Zr site, Zr(4) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(2), and four equivalent Zr(4) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and three equivalent Zr(4) atoms. is represented by the CIF card [CIF]
data_Zr5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   8.850
_cell_length_c   10.845
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.327
_cell_formula_units_Z   4
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  0.472  0.750  0.497  1.0
  Zr  Zr1  1  0.972  0.250  0.003  1.0
  Zr  Zr2  1  0.528  0.250  0.503  1.0
  Zr  Zr3  1  0.028  0.750  0.997  1.0
  Zr  Zr4  1  0.319  0.750  0.767  1.0
  Zr  Zr5  1  0.819  0.250  0.733  1.0
  Zr  Zr6  1  0.681  0.250  0.233  1.0
  Zr  Zr7  1  0.181  0.750  0.267  1.0
  Zr  Zr8  1  0.173  0.250  0.289  1.0
  Zr  Zr9  1  0.673  0.750  0.211  1.0
  Zr  Zr10  1  0.827  0.750  0.711  1.0
  Zr  Zr11  1  0.327  0.250  0.789  1.0
  Zr  Zr12  1  0.199  0.444  0.553  1.0
  Zr  Zr13  1  0.699  0.556  0.947  1.0
  Zr  Zr14  1  0.801  0.944  0.447  1.0
  Zr  Zr15  1  0.301  0.056  0.053  1.0
  Zr  Zr16  1  0.801  0.556  0.447  1.0
  Zr  Zr17  1  0.301  0.444  0.053  1.0
  Zr  Zr18  1  0.199  0.056  0.553  1.0
  Zr  Zr19  1  0.699  0.944  0.947  1.0
  Sb  Sb20  1  0.089  0.750  0.525  1.0
  Sb  Sb21  1  0.589  0.250  0.975  1.0
  Sb  Sb22  1  0.911  0.250  0.475  1.0
  Sb  Sb23  1  0.411  0.750  0.025  1.0
  Sb  Sb24  1  0.066  0.008  0.822  1.0
  Sb  Sb25  1  0.566  0.992  0.678  1.0
  Sb  Sb26  1  0.934  0.508  0.178  1.0
  Sb  Sb27  1  0.434  0.492  0.322  1.0
  Sb  Sb28  1  0.934  0.992  0.178  1.0
  Sb  Sb29  1  0.434  0.008  0.322  1.0
  Sb  Sb30  1  0.066  0.492  0.822  1.0
  Sb  Sb31  1  0.566  0.508  0.678  1.0
[/CIF]
.