The structure described by Hf5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. In the second Hf site, Hf(2) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing HfSb5 trigonal bipyramids. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. In the fourth Hf site, Hf(4) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing HfSb5 square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Hf(2), one Hf(4), two equivalent Hf(3), and four equivalent Hf(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent Hf(4), and three equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.402
_cell_length_b   8.770
_cell_length_c   10.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.892
_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  0.803  0.443  0.563  1.0
  Hf  Hf1  1  0.303  0.057  0.937  1.0
  Hf  Hf2  1  0.197  0.943  0.437  1.0
  Hf  Hf3  1  0.697  0.557  0.063  1.0
  Hf  Hf4  1  0.135  0.250  0.716  1.0
  Hf  Hf5  1  0.635  0.250  0.784  1.0
  Hf  Hf6  1  0.865  0.750  0.284  1.0
  Hf  Hf7  1  0.365  0.750  0.216  1.0
  Hf  Hf8  1  0.303  0.443  0.937  1.0
  Hf  Hf9  1  0.803  0.057  0.563  1.0
  Hf  Hf10  1  0.697  0.943  0.063  1.0
  Hf  Hf11  1  0.197  0.557  0.437  1.0
  Hf  Hf12  1  0.193  0.750  0.724  1.0
  Hf  Hf13  1  0.693  0.750  0.776  1.0
  Hf  Hf14  1  0.807  0.250  0.276  1.0
  Hf  Hf15  1  0.307  0.250  0.224  1.0
  Hf  Hf16  1  0.027  0.750  0.990  1.0
  Hf  Hf17  1  0.527  0.750  0.510  1.0
  Hf  Hf18  1  0.973  0.250  0.010  1.0
  Hf  Hf19  1  0.473  0.250  0.490  1.0
  Sb  Sb20  1  0.418  0.750  0.956  1.0
  Sb  Sb21  1  0.918  0.750  0.544  1.0
  Sb  Sb22  1  0.582  0.250  0.044  1.0
  Sb  Sb23  1  0.082  0.250  0.456  1.0
  Sb  Sb24  1  0.576  0.992  0.326  1.0
  Sb  Sb25  1  0.076  0.508  0.174  1.0
  Sb  Sb26  1  0.424  0.492  0.674  1.0
  Sb  Sb27  1  0.924  0.008  0.826  1.0
  Sb  Sb28  1  0.424  0.008  0.674  1.0
  Sb  Sb29  1  0.924  0.492  0.826  1.0
  Sb  Sb30  1  0.576  0.508  0.326  1.0
  Sb  Sb31  1  0.076  0.992  0.174  1.0
[/CIF]
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The structure described by Hf5Sb3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. In the second Hf site, Hf(2) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing HfSb5 trigonal bipyramids. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. In the fourth Hf site, Hf(4) is bonded to one Sb(1) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing HfSb5 square pyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Hf(2), one Hf(4), two equivalent Hf(3), and four equivalent Hf(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent Hf(4), and three equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.402
_cell_length_b   8.770
_cell_length_c   10.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   698.892
_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  0.803  0.443  0.563  1.0
  Hf  Hf1  1  0.303  0.057  0.937  1.0
  Hf  Hf2  1  0.197  0.943  0.437  1.0
  Hf  Hf3  1  0.697  0.557  0.063  1.0
  Hf  Hf4  1  0.135  0.250  0.716  1.0
  Hf  Hf5  1  0.635  0.250  0.784  1.0
  Hf  Hf6  1  0.865  0.750  0.284  1.0
  Hf  Hf7  1  0.365  0.750  0.216  1.0
  Hf  Hf8  1  0.303  0.443  0.937  1.0
  Hf  Hf9  1  0.803  0.057  0.563  1.0
  Hf  Hf10  1  0.697  0.943  0.063  1.0
  Hf  Hf11  1  0.197  0.557  0.437  1.0
  Hf  Hf12  1  0.193  0.750  0.724  1.0
  Hf  Hf13  1  0.693  0.750  0.776  1.0
  Hf  Hf14  1  0.807  0.250  0.276  1.0
  Hf  Hf15  1  0.307  0.250  0.224  1.0
  Hf  Hf16  1  0.027  0.750  0.990  1.0
  Hf  Hf17  1  0.527  0.750  0.510  1.0
  Hf  Hf18  1  0.973  0.250  0.010  1.0
  Hf  Hf19  1  0.473  0.250  0.490  1.0
  Sb  Sb20  1  0.418  0.750  0.956  1.0
  Sb  Sb21  1  0.918  0.750  0.544  1.0
  Sb  Sb22  1  0.582  0.250  0.044  1.0
  Sb  Sb23  1  0.082  0.250  0.456  1.0
  Sb  Sb24  1  0.576  0.992  0.326  1.0
  Sb  Sb25  1  0.076  0.508  0.174  1.0
  Sb  Sb26  1  0.424  0.492  0.674  1.0
  Sb  Sb27  1  0.924  0.008  0.826  1.0
  Sb  Sb28  1  0.424  0.008  0.674  1.0
  Sb  Sb29  1  0.924  0.492  0.826  1.0
  Sb  Sb30  1  0.576  0.508  0.326  1.0
  Sb  Sb31  1  0.076  0.992  0.174  1.0
[/CIF]
.