The structure described by Zr5Ge4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to three equivalent Ge(2) and four equivalent Ge(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to three equivalent Ge(1) and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Zr(1), three equivalent Zr(3), four equivalent Zr(2), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zr5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   13.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.179
_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  0.829  0.171  0.750  1.0
  Zr  Zr1  1  0.171  0.829  0.250  1.0
  Zr  Zr2  1  0.671  0.671  0.500  1.0
  Zr  Zr3  1  0.329  0.329  0.000  1.0
  Zr  Zr4  1  1.000  0.345  0.531  1.0
  Zr  Zr5  1  0.000  0.655  0.031  1.0
  Zr  Zr6  1  0.845  0.500  0.281  1.0
  Zr  Zr7  1  0.155  0.500  0.781  1.0
  Zr  Zr8  1  0.655  0.000  0.969  1.0
  Zr  Zr9  1  0.345  1.000  0.469  1.0
  Zr  Zr10  1  0.500  0.845  0.719  1.0
  Zr  Zr11  1  0.500  0.155  0.219  1.0
  Zr  Zr12  1  0.502  0.347  0.623  1.0
  Zr  Zr13  1  0.498  0.653  0.123  1.0
  Zr  Zr14  1  0.847  0.998  0.373  1.0
  Zr  Zr15  1  0.153  0.002  0.873  1.0
  Zr  Zr16  1  0.653  0.498  0.877  1.0
  Zr  Zr17  1  0.347  0.502  0.377  1.0
  Zr  Zr18  1  0.998  0.847  0.627  1.0
  Zr  Zr19  1  0.002  0.153  0.127  1.0
  Ge  Ge20  1  0.641  0.299  0.422  1.0
  Ge  Ge21  1  0.359  0.701  0.922  1.0
  Ge  Ge22  1  0.799  0.859  0.172  1.0
  Ge  Ge23  1  0.201  0.141  0.672  1.0
  Ge  Ge24  1  0.701  0.359  0.078  1.0
  Ge  Ge25  1  0.299  0.641  0.578  1.0
  Ge  Ge26  1  0.859  0.799  0.828  1.0
  Ge  Ge27  1  0.141  0.201  0.328  1.0
  Ge  Ge28  1  0.697  0.039  0.566  1.0
  Ge  Ge29  1  0.303  0.961  0.066  1.0
  Ge  Ge30  1  0.539  0.803  0.316  1.0
  Ge  Ge31  1  0.461  0.197  0.816  1.0
  Ge  Ge32  1  0.961  0.303  0.934  1.0
  Ge  Ge33  1  0.039  0.697  0.434  1.0
  Ge  Ge34  1  0.803  0.539  0.684  1.0
  Ge  Ge35  1  0.197  0.461  0.184  1.0
[/CIF]
.
The structure described by Zr5Ge4 crystallizes in the tetragonal P4_12_12 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to three equivalent Ge(2) and four equivalent Ge(1) atoms. In the third Zr site, Zr(3) is bonded in a 6-coordinate geometry to three equivalent Ge(1) and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Zr(1), three equivalent Zr(3), four equivalent Zr(2), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zr5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   13.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.179
_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  0.829  0.171  0.750  1.0
  Zr  Zr1  1  0.171  0.829  0.250  1.0
  Zr  Zr2  1  0.671  0.671  0.500  1.0
  Zr  Zr3  1  0.329  0.329  0.000  1.0
  Zr  Zr4  1  1.000  0.345  0.531  1.0
  Zr  Zr5  1  0.000  0.655  0.031  1.0
  Zr  Zr6  1  0.845  0.500  0.281  1.0
  Zr  Zr7  1  0.155  0.500  0.781  1.0
  Zr  Zr8  1  0.655  0.000  0.969  1.0
  Zr  Zr9  1  0.345  1.000  0.469  1.0
  Zr  Zr10  1  0.500  0.845  0.719  1.0
  Zr  Zr11  1  0.500  0.155  0.219  1.0
  Zr  Zr12  1  0.502  0.347  0.623  1.0
  Zr  Zr13  1  0.498  0.653  0.123  1.0
  Zr  Zr14  1  0.847  0.998  0.373  1.0
  Zr  Zr15  1  0.153  0.002  0.873  1.0
  Zr  Zr16  1  0.653  0.498  0.877  1.0
  Zr  Zr17  1  0.347  0.502  0.377  1.0
  Zr  Zr18  1  0.998  0.847  0.627  1.0
  Zr  Zr19  1  0.002  0.153  0.127  1.0
  Ge  Ge20  1  0.641  0.299  0.422  1.0
  Ge  Ge21  1  0.359  0.701  0.922  1.0
  Ge  Ge22  1  0.799  0.859  0.172  1.0
  Ge  Ge23  1  0.201  0.141  0.672  1.0
  Ge  Ge24  1  0.701  0.359  0.078  1.0
  Ge  Ge25  1  0.299  0.641  0.578  1.0
  Ge  Ge26  1  0.859  0.799  0.828  1.0
  Ge  Ge27  1  0.141  0.201  0.328  1.0
  Ge  Ge28  1  0.697  0.039  0.566  1.0
  Ge  Ge29  1  0.303  0.961  0.066  1.0
  Ge  Ge30  1  0.539  0.803  0.316  1.0
  Ge  Ge31  1  0.461  0.197  0.816  1.0
  Ge  Ge32  1  0.961  0.303  0.934  1.0
  Ge  Ge33  1  0.039  0.697  0.434  1.0
  Ge  Ge34  1  0.803  0.539  0.684  1.0
  Ge  Ge35  1  0.197  0.461  0.184  1.0
[/CIF]
.