The crystal structure described by Hf10MnSb5 crystallizes in the tetragonal I422 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one Mn(1), one Sb(2), and four equivalent Sb(1) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. Mn(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Hf(2) and eight equivalent Hf(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Hf10MnSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.255
_cell_length_c   8.254
_cell_angle_alpha   96.493
_cell_angle_beta   109.670
_cell_angle_gamma   70.331
_symmetry_Int_Tables_number   1
_cell_volume   335.475
_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  0.933  0.858  0.706  1.0
  Hf  Hf1  1  0.086  0.142  0.294  1.0
  Hf  Hf2  1  0.414  0.294  0.142  1.0
  Hf  Hf3  1  0.567  0.706  0.858  1.0
  Hf  Hf4  1  0.228  0.706  0.142  1.0
  Hf  Hf5  1  0.792  0.294  0.858  1.0
  Hf  Hf6  1  0.272  0.142  0.706  1.0
  Hf  Hf7  1  0.708  0.858  0.294  1.0
  Hf  Hf8  1  0.250  0.500  0.500  1.0
  Hf  Hf9  1  0.750  0.500  0.500  1.0
  Mn  Mn10  1  0.250  1.000  1.000  1.0
  Sb  Sb11  1  0.336  0.828  0.500  1.0
  Sb  Sb12  1  0.664  0.172  0.500  1.0
  Sb  Sb13  1  0.836  0.500  0.172  1.0
  Sb  Sb14  1  0.164  0.500  0.828  1.0
  Sb  Sb15  1  0.750  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Hf10MnSb5 crystallizes in the tetragonal I422 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one Mn(1), one Sb(2), and four equivalent Sb(1) atoms. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. Mn(1) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Hf(2) and eight equivalent Hf(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Hf(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Hf10MnSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.255
_cell_length_c   8.254
_cell_angle_alpha   96.493
_cell_angle_beta   109.670
_cell_angle_gamma   70.331
_symmetry_Int_Tables_number   1
_cell_volume   335.475
_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  0.933  0.858  0.706  1.0
  Hf  Hf1  1  0.086  0.142  0.294  1.0
  Hf  Hf2  1  0.414  0.294  0.142  1.0
  Hf  Hf3  1  0.567  0.706  0.858  1.0
  Hf  Hf4  1  0.228  0.706  0.142  1.0
  Hf  Hf5  1  0.792  0.294  0.858  1.0
  Hf  Hf6  1  0.272  0.142  0.706  1.0
  Hf  Hf7  1  0.708  0.858  0.294  1.0
  Hf  Hf8  1  0.250  0.500  0.500  1.0
  Hf  Hf9  1  0.750  0.500  0.500  1.0
  Mn  Mn10  1  0.250  1.000  1.000  1.0
  Sb  Sb11  1  0.336  0.828  0.500  1.0
  Sb  Sb12  1  0.664  0.172  0.500  1.0
  Sb  Sb13  1  0.836  0.500  0.172  1.0
  Sb  Sb14  1  0.164  0.500  0.828  1.0
  Sb  Sb15  1  0.750  0.000  0.000  1.0
[/CIF]
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