The material structure described by Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), three equivalent Au(3), and three equivalent Au(4) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to two equivalent Zr(1), one Au(2), two equivalent Au(1), two equivalent Au(3), and four equivalent Au(4) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to three equivalent Zr(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the fourth Au site, Au(4) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_ZrAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.298
_cell_length_c   15.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.675
_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  0.750  0.733  0.883  1.0
  Zr  Zr1  1  0.250  0.767  0.383  1.0
  Zr  Zr2  1  0.750  0.233  0.617  1.0
  Zr  Zr3  1  0.250  0.267  0.117  1.0
  Au  Au4  1  0.250  0.365  0.727  1.0
  Au  Au5  1  0.750  0.135  0.227  1.0
  Au  Au6  1  0.250  0.461  0.541  1.0
  Au  Au7  1  0.250  0.458  0.929  1.0
  Au  Au8  1  0.250  0.865  0.773  1.0
  Au  Au9  1  0.750  0.039  0.041  1.0
  Au  Au10  1  0.250  0.961  0.959  1.0
  Au  Au11  1  0.750  0.542  0.071  1.0
  Au  Au12  1  0.250  0.958  0.571  1.0
  Au  Au13  1  0.750  0.234  0.807  1.0
  Au  Au14  1  0.250  0.766  0.193  1.0
  Au  Au15  1  0.750  0.635  0.273  1.0
  Au  Au16  1  0.750  0.042  0.429  1.0
  Au  Au17  1  0.250  0.266  0.307  1.0
  Au  Au18  1  0.750  0.539  0.459  1.0
  Au  Au19  1  0.750  0.734  0.693  1.0
[/CIF]
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The material structure described by Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), three equivalent Au(3), and three equivalent Au(4) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to two equivalent Zr(1), one Au(2), two equivalent Au(1), two equivalent Au(3), and four equivalent Au(4) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to three equivalent Zr(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the fourth Au site, Au(4) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_ZrAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.298
_cell_length_c   15.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.675
_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  0.750  0.733  0.883  1.0
  Zr  Zr1  1  0.250  0.767  0.383  1.0
  Zr  Zr2  1  0.750  0.233  0.617  1.0
  Zr  Zr3  1  0.250  0.267  0.117  1.0
  Au  Au4  1  0.250  0.365  0.727  1.0
  Au  Au5  1  0.750  0.135  0.227  1.0
  Au  Au6  1  0.250  0.461  0.541  1.0
  Au  Au7  1  0.250  0.458  0.929  1.0
  Au  Au8  1  0.250  0.865  0.773  1.0
  Au  Au9  1  0.750  0.039  0.041  1.0
  Au  Au10  1  0.250  0.961  0.959  1.0
  Au  Au11  1  0.750  0.542  0.071  1.0
  Au  Au12  1  0.250  0.958  0.571  1.0
  Au  Au13  1  0.750  0.234  0.807  1.0
  Au  Au14  1  0.250  0.766  0.193  1.0
  Au  Au15  1  0.750  0.635  0.273  1.0
  Au  Au16  1  0.750  0.042  0.429  1.0
  Au  Au17  1  0.250  0.266  0.307  1.0
  Au  Au18  1  0.750  0.539  0.459  1.0
  Au  Au19  1  0.750  0.734  0.693  1.0
[/CIF]
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