The crystal structure described by Zr crystallizes in the orthorhombic Ibam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1) and eight equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.866
_cell_length_c   5.866
_cell_angle_alpha   90.550
_cell_angle_beta   62.396
_cell_angle_gamma   62.396
_symmetry_Int_Tables_number   1
_cell_volume   140.665
_cell_formula_units_Z   6
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  0.750  0.750  0.250  1.0
  Zr  Zr1  1  0.250  0.250  0.750  1.0
  Zr  Zr2  1  0.422  0.323  0.178  1.0
  Zr  Zr3  1  0.078  0.822  0.677  1.0
  Zr  Zr4  1  0.578  0.677  0.822  1.0
  Zr  Zr5  1  0.922  0.178  0.323  1.0
[/CIF]
.
The crystal structure described by Zr crystallizes in the orthorhombic Ibam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1) and eight equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.866
_cell_length_c   5.866
_cell_angle_alpha   90.550
_cell_angle_beta   62.396
_cell_angle_gamma   62.396
_symmetry_Int_Tables_number   1
_cell_volume   140.665
_cell_formula_units_Z   6
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  0.750  0.750  0.250  1.0
  Zr  Zr1  1  0.250  0.250  0.750  1.0
  Zr  Zr2  1  0.422  0.323  0.178  1.0
  Zr  Zr3  1  0.078  0.822  0.677  1.0
  Zr  Zr4  1  0.578  0.677  0.822  1.0
  Zr  Zr5  1  0.922  0.178  0.323  1.0
[/CIF]
.