The material structure described by Hf2In5 crystallizes in the tetragonal P4/mbm space group. Hf(1) is bonded to two equivalent Hf(1), two equivalent In(2), and eight equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing HfHf2In10 cuboctahedra. There are two inequivalent In sites. In the first In site, In(2) is bonded in a 10-coordinate geometry to four equivalent Hf(1), two equivalent In(2), and four equivalent In(1) atoms. In the second In site, In(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), one In(2), and five equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Hf2In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.057
_cell_length_b   10.308
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.887
_cell_formula_units_Z   2
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  0.500  0.820  0.320  1.0
  Hf  Hf1  1  0.500  0.680  0.820  1.0
  Hf  Hf2  1  0.500  0.320  0.180  1.0
  Hf  Hf3  1  0.500  0.180  0.680  1.0
  In  In4  1  0.000  0.291  0.438  1.0
  In  In5  1  0.000  0.709  0.562  1.0
  In  In6  1  0.000  0.438  0.709  1.0
  In  In7  1  0.000  0.562  0.291  1.0
  In  In8  1  0.000  0.000  0.500  1.0
  In  In9  1  0.000  0.500  0.000  1.0
  In  In10  1  0.000  0.062  0.209  1.0
  In  In11  1  0.000  0.791  0.062  1.0
  In  In12  1  0.000  0.209  0.938  1.0
  In  In13  1  0.000  0.938  0.791  1.0
[/CIF]
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The material structure described by Hf2In5 crystallizes in the tetragonal P4/mbm space group. Hf(1) is bonded to two equivalent Hf(1), two equivalent In(2), and eight equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing HfHf2In10 cuboctahedra. There are two inequivalent In sites. In the first In site, In(2) is bonded in a 10-coordinate geometry to four equivalent Hf(1), two equivalent In(2), and four equivalent In(1) atoms. In the second In site, In(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), one In(2), and five equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Hf2In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.057
_cell_length_b   10.308
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.887
_cell_formula_units_Z   2
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  0.500  0.820  0.320  1.0
  Hf  Hf1  1  0.500  0.680  0.820  1.0
  Hf  Hf2  1  0.500  0.320  0.180  1.0
  Hf  Hf3  1  0.500  0.180  0.680  1.0
  In  In4  1  0.000  0.291  0.438  1.0
  In  In5  1  0.000  0.709  0.562  1.0
  In  In6  1  0.000  0.438  0.709  1.0
  In  In7  1  0.000  0.562  0.291  1.0
  In  In8  1  0.000  0.000  0.500  1.0
  In  In9  1  0.000  0.500  0.000  1.0
  In  In10  1  0.000  0.062  0.209  1.0
  In  In11  1  0.000  0.791  0.062  1.0
  In  In12  1  0.000  0.209  0.938  1.0
  In  In13  1  0.000  0.938  0.791  1.0
[/CIF]
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