The material described by Hf5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms to form distorted HfGe7 pentagonal bipyramids that share corners with four equivalent Hf(3)Ge6 octahedra, corners with six equivalent Hf(1)Ge7 pentagonal bipyramids, edges with two equivalent Hf(1)Ge7 pentagonal bipyramids, faces with two equivalent Hf(3)Ge6 octahedra, and faces with three equivalent Hf(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-52°. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the third Hf site, Hf(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted HfGe6 octahedra that share corners with four equivalent Hf(3)Ge6 octahedra, corners with eight equivalent Hf(1)Ge7 pentagonal bipyramids, and faces with four equivalent Hf(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(3), four equivalent Hf(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Hf(3), three equivalent Hf(2), and four equivalent Hf(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), four equivalent Hf(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Hf5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.093
_cell_length_c   13.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.837
_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
  Hf  Hf0  1  0.016  0.323  0.095  1.0
  Hf  Hf1  1  0.516  0.177  0.405  1.0
  Hf  Hf2  1  0.484  0.823  0.905  1.0
  Hf  Hf3  1  0.984  0.677  0.595  1.0
  Hf  Hf4  1  0.016  0.323  0.405  1.0
  Hf  Hf5  1  0.516  0.177  0.095  1.0
  Hf  Hf6  1  0.484  0.823  0.595  1.0
  Hf  Hf7  1  0.984  0.677  0.905  1.0
  Hf  Hf8  1  0.855  0.834  0.124  1.0
  Hf  Hf9  1  0.355  0.666  0.376  1.0
  Hf  Hf10  1  0.645  0.334  0.876  1.0
  Hf  Hf11  1  0.145  0.166  0.624  1.0
  Hf  Hf12  1  0.145  0.166  0.876  1.0
  Hf  Hf13  1  0.645  0.334  0.624  1.0
  Hf  Hf14  1  0.355  0.666  0.124  1.0
  Hf  Hf15  1  0.855  0.834  0.376  1.0
  Hf  Hf16  1  0.183  0.003  0.250  1.0
  Hf  Hf17  1  0.683  0.497  0.250  1.0
  Hf  Hf18  1  0.317  0.503  0.750  1.0
  Hf  Hf19  1  0.817  0.997  0.750  1.0
  Ge  Ge20  1  0.699  0.535  0.041  1.0
  Ge  Ge21  1  0.199  0.965  0.459  1.0
  Ge  Ge22  1  0.801  0.035  0.959  1.0
  Ge  Ge23  1  0.301  0.465  0.541  1.0
  Ge  Ge24  1  0.301  0.465  0.959  1.0
  Ge  Ge25  1  0.801  0.035  0.541  1.0
  Ge  Ge26  1  0.199  0.965  0.041  1.0
  Ge  Ge27  1  0.699  0.535  0.459  1.0
  Ge  Ge28  1  0.322  0.354  0.250  1.0
  Ge  Ge29  1  0.822  0.146  0.250  1.0
  Ge  Ge30  1  0.178  0.854  0.750  1.0
  Ge  Ge31  1  0.678  0.646  0.750  1.0
  Ge  Ge32  1  0.054  0.613  0.250  1.0
  Ge  Ge33  1  0.554  0.887  0.250  1.0
  Ge  Ge34  1  0.446  0.113  0.750  1.0
  Ge  Ge35  1  0.946  0.387  0.750  1.0
[/CIF]
.
The material described by Hf5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms to form distorted HfGe7 pentagonal bipyramids that share corners with four equivalent Hf(3)Ge6 octahedra, corners with six equivalent Hf(1)Ge7 pentagonal bipyramids, edges with two equivalent Hf(1)Ge7 pentagonal bipyramids, faces with two equivalent Hf(3)Ge6 octahedra, and faces with three equivalent Hf(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-52°. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the third Hf site, Hf(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted HfGe6 octahedra that share corners with four equivalent Hf(3)Ge6 octahedra, corners with eight equivalent Hf(1)Ge7 pentagonal bipyramids, and faces with four equivalent Hf(1)Ge7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(3), four equivalent Hf(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Hf(3), three equivalent Hf(2), and four equivalent Hf(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), four equivalent Hf(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Hf5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.014
_cell_length_b   7.093
_cell_length_c   13.385
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.837
_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
  Hf  Hf0  1  0.016  0.323  0.095  1.0
  Hf  Hf1  1  0.516  0.177  0.405  1.0
  Hf  Hf2  1  0.484  0.823  0.905  1.0
  Hf  Hf3  1  0.984  0.677  0.595  1.0
  Hf  Hf4  1  0.016  0.323  0.405  1.0
  Hf  Hf5  1  0.516  0.177  0.095  1.0
  Hf  Hf6  1  0.484  0.823  0.595  1.0
  Hf  Hf7  1  0.984  0.677  0.905  1.0
  Hf  Hf8  1  0.855  0.834  0.124  1.0
  Hf  Hf9  1  0.355  0.666  0.376  1.0
  Hf  Hf10  1  0.645  0.334  0.876  1.0
  Hf  Hf11  1  0.145  0.166  0.624  1.0
  Hf  Hf12  1  0.145  0.166  0.876  1.0
  Hf  Hf13  1  0.645  0.334  0.624  1.0
  Hf  Hf14  1  0.355  0.666  0.124  1.0
  Hf  Hf15  1  0.855  0.834  0.376  1.0
  Hf  Hf16  1  0.183  0.003  0.250  1.0
  Hf  Hf17  1  0.683  0.497  0.250  1.0
  Hf  Hf18  1  0.317  0.503  0.750  1.0
  Hf  Hf19  1  0.817  0.997  0.750  1.0
  Ge  Ge20  1  0.699  0.535  0.041  1.0
  Ge  Ge21  1  0.199  0.965  0.459  1.0
  Ge  Ge22  1  0.801  0.035  0.959  1.0
  Ge  Ge23  1  0.301  0.465  0.541  1.0
  Ge  Ge24  1  0.301  0.465  0.959  1.0
  Ge  Ge25  1  0.801  0.035  0.541  1.0
  Ge  Ge26  1  0.199  0.965  0.041  1.0
  Ge  Ge27  1  0.699  0.535  0.459  1.0
  Ge  Ge28  1  0.322  0.354  0.250  1.0
  Ge  Ge29  1  0.822  0.146  0.250  1.0
  Ge  Ge30  1  0.178  0.854  0.750  1.0
  Ge  Ge31  1  0.678  0.646  0.750  1.0
  Ge  Ge32  1  0.054  0.613  0.250  1.0
  Ge  Ge33  1  0.554  0.887  0.250  1.0
  Ge  Ge34  1  0.446  0.113  0.750  1.0
  Ge  Ge35  1  0.946  0.387  0.750  1.0
[/CIF]
.