The crystal structure described by Hf2Ni7 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and eight equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(3) is bonded to four equivalent Hf(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiHf4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiHf4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one Ni(3), two equivalent Ni(1), and five equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Hf2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   6.200
_cell_angle_alpha   82.123
_cell_angle_beta   82.123
_cell_angle_gamma   120.731
_symmetry_Int_Tables_number   1
_cell_volume   111.273
_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  0.107  0.107  0.228  1.0
  Hf  Hf1  1  0.893  0.893  0.772  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.464  0.793  0.155  1.0
  Ni  Ni5  1  0.536  0.207  0.845  1.0
  Ni  Ni6  1  0.207  0.536  0.845  1.0
  Ni  Ni7  1  0.793  0.464  0.155  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Hf2Ni7 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 14-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and eight equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(3) is bonded to four equivalent Hf(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiHf4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiHf4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one Ni(3), two equivalent Ni(1), and five equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Hf2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   6.200
_cell_angle_alpha   82.123
_cell_angle_beta   82.123
_cell_angle_gamma   120.731
_symmetry_Int_Tables_number   1
_cell_volume   111.273
_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  0.107  0.107  0.228  1.0
  Hf  Hf1  1  0.893  0.893  0.772  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.464  0.793  0.155  1.0
  Ni  Ni5  1  0.536  0.207  0.845  1.0
  Ni  Ni6  1  0.207  0.536  0.845  1.0
  Ni  Ni7  1  0.793  0.464  0.155  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
[/CIF]
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