The material described by Hf4GeSb7 crystallizes in the monoclinic Pm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Ge(1), one Sb(2), one Sb(5), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(6) atoms. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Ge(1), one Sb(1), one Sb(5), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to two equivalent Ge(1), one Sb(4), one Sb(6), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fourth Hf site, Hf(4) is bonded in a 9-coordinate geometry to one Sb(3), one Sb(6), one Sb(7), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(5) atoms. Ge(1) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(3), two equivalent Sb(4), and two equivalent Sb(6) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Hf(2), two equivalent Hf(3), two equivalent Hf(4), and two equivalent Sb(7) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Hf(1), two equivalent Hf(3), and two equivalent Hf(4) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to one Hf(4), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Sb(5) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Ge(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(4), two equivalent Sb(3), and two equivalent Sb(7) atoms. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(1), and two equivalent Ge(1) atoms. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(2), two equivalent Sb(1), and two equivalent Sb(5) atoms. is represented by the CIF file [CIF]
data_Hf4GeSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.970
_cell_length_b   7.302
_cell_length_c   9.542
_cell_angle_alpha   89.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.586
_cell_formula_units_Z   1
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  0.000  0.757  0.659  1.0
  Hf  Hf1  1  0.000  0.264  0.831  1.0
  Hf  Hf2  1  0.500  0.241  0.343  1.0
  Hf  Hf3  1  0.500  0.742  0.165  1.0
  Ge  Ge4  1  0.000  0.368  0.545  1.0
  Sb  Sb5  1  0.000  0.433  0.152  1.0
  Sb  Sb6  1  0.000  0.929  0.355  1.0
  Sb  Sb7  1  0.500  0.569  0.848  1.0
  Sb  Sb8  1  0.500  0.079  0.642  1.0
  Sb  Sb9  1  0.000  0.870  0.953  1.0
  Sb  Sb10  1  0.500  0.612  0.461  1.0
  Sb  Sb11  1  0.500  0.136  0.045  1.0
[/CIF]
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The material described by Hf4GeSb7 crystallizes in the monoclinic Pm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Ge(1), one Sb(2), one Sb(5), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(6) atoms. In the second Hf site, Hf(2) is bonded in a 9-coordinate geometry to one Ge(1), one Sb(1), one Sb(5), two equivalent Sb(3), two equivalent Sb(4), and two equivalent Sb(7) atoms. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to two equivalent Ge(1), one Sb(4), one Sb(6), one Sb(7), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fourth Hf site, Hf(4) is bonded in a 9-coordinate geometry to one Sb(3), one Sb(6), one Sb(7), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(5) atoms. Ge(1) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(3), two equivalent Sb(4), and two equivalent Sb(6) atoms. There are seven inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Hf(2), two equivalent Hf(3), two equivalent Hf(4), and two equivalent Sb(7) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Hf(1), two equivalent Hf(3), and two equivalent Hf(4) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to one Hf(4), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Sb(5) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Ge(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(4), two equivalent Sb(3), and two equivalent Sb(7) atoms. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(1), and two equivalent Ge(1) atoms. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(2), two equivalent Sb(1), and two equivalent Sb(5) atoms. is represented by the CIF file [CIF]
data_Hf4GeSb7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.970
_cell_length_b   7.302
_cell_length_c   9.542
_cell_angle_alpha   89.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.586
_cell_formula_units_Z   1
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  0.000  0.757  0.659  1.0
  Hf  Hf1  1  0.000  0.264  0.831  1.0
  Hf  Hf2  1  0.500  0.241  0.343  1.0
  Hf  Hf3  1  0.500  0.742  0.165  1.0
  Ge  Ge4  1  0.000  0.368  0.545  1.0
  Sb  Sb5  1  0.000  0.433  0.152  1.0
  Sb  Sb6  1  0.000  0.929  0.355  1.0
  Sb  Sb7  1  0.500  0.569  0.848  1.0
  Sb  Sb8  1  0.500  0.079  0.642  1.0
  Sb  Sb9  1  0.000  0.870  0.953  1.0
  Sb  Sb10  1  0.500  0.612  0.461  1.0
  Sb  Sb11  1  0.500  0.136  0.045  1.0
[/CIF]
.