The material structure described by Zn2Zr3 crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted square co-planar geometry to four equivalent Zn(1) atoms. In the second Zr site, Zr(3) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. In the third Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Zr3Zn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.570
_cell_length_b   7.570
_cell_length_c   6.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.639
_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  0.500  0.000  0.250  1.0
  Zr  Zr1  1  0.500  0.000  0.750  1.0
  Zr  Zr2  1  0.000  0.500  0.250  1.0
  Zr  Zr3  1  0.000  0.500  0.750  1.0
  Zr  Zr4  1  0.705  0.295  0.000  1.0
  Zr  Zr5  1  0.295  0.705  0.000  1.0
  Zr  Zr6  1  0.795  0.795  0.500  1.0
  Zr  Zr7  1  0.205  0.205  0.500  1.0
  Zr  Zr8  1  0.148  0.148  0.000  1.0
  Zr  Zr9  1  0.852  0.852  0.000  1.0
  Zr  Zr10  1  0.648  0.352  0.500  1.0
  Zr  Zr11  1  0.352  0.648  0.500  1.0
  Zn  Zn12  1  0.378  0.379  0.195  1.0
  Zn  Zn13  1  0.622  0.621  0.805  1.0
  Zn  Zn14  1  0.622  0.621  0.195  1.0
  Zn  Zn15  1  0.879  0.122  0.695  1.0
  Zn  Zn16  1  0.879  0.122  0.305  1.0
  Zn  Zn17  1  0.378  0.379  0.805  1.0
  Zn  Zn18  1  0.121  0.878  0.305  1.0
  Zn  Zn19  1  0.121  0.878  0.695  1.0
[/CIF]
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The material structure described by Zn2Zr3 crystallizes in the tetragonal P4_2/mnm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted square co-planar geometry to four equivalent Zn(1) atoms. In the second Zr site, Zr(3) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. In the third Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Zr3Zn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.570
_cell_length_b   7.570
_cell_length_c   6.851
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.639
_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  0.500  0.000  0.250  1.0
  Zr  Zr1  1  0.500  0.000  0.750  1.0
  Zr  Zr2  1  0.000  0.500  0.250  1.0
  Zr  Zr3  1  0.000  0.500  0.750  1.0
  Zr  Zr4  1  0.705  0.295  0.000  1.0
  Zr  Zr5  1  0.295  0.705  0.000  1.0
  Zr  Zr6  1  0.795  0.795  0.500  1.0
  Zr  Zr7  1  0.205  0.205  0.500  1.0
  Zr  Zr8  1  0.148  0.148  0.000  1.0
  Zr  Zr9  1  0.852  0.852  0.000  1.0
  Zr  Zr10  1  0.648  0.352  0.500  1.0
  Zr  Zr11  1  0.352  0.648  0.500  1.0
  Zn  Zn12  1  0.378  0.379  0.195  1.0
  Zn  Zn13  1  0.622  0.621  0.805  1.0
  Zn  Zn14  1  0.622  0.621  0.195  1.0
  Zn  Zn15  1  0.879  0.122  0.695  1.0
  Zn  Zn16  1  0.879  0.122  0.305  1.0
  Zn  Zn17  1  0.378  0.379  0.805  1.0
  Zn  Zn18  1  0.121  0.878  0.305  1.0
  Zn  Zn19  1  0.121  0.878  0.695  1.0
[/CIF]
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