The structure described by Zr2Sb crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing ZrSb5 square pyramids. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.132
_cell_length_b   4.132
_cell_length_c   8.505
_cell_angle_alpha   104.059
_cell_angle_beta   104.059
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.386
_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  0.500  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.000  1.0
  Zr  Zr2  1  0.322  0.322  0.645  1.0
  Zr  Zr3  1  0.678  0.678  0.355  1.0
  Sb  Sb4  1  0.138  0.138  0.277  1.0
  Sb  Sb5  1  0.862  0.862  0.723  1.0
[/CIF]
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The structure described by Zr2Sb crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing ZrSb5 square pyramids. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.132
_cell_length_b   4.132
_cell_length_c   8.505
_cell_angle_alpha   104.059
_cell_angle_beta   104.059
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.386
_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  0.500  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.000  1.0
  Zr  Zr2  1  0.322  0.322  0.645  1.0
  Zr  Zr3  1  0.678  0.678  0.355  1.0
  Sb  Sb4  1  0.138  0.138  0.277  1.0
  Sb  Sb5  1  0.862  0.862  0.723  1.0
[/CIF]
.