The crystal structure described by Hf2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Hf(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiHf6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Hf6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Hf6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Hf6Si2Ni4 cuboctahedra. Si(1) is bonded to six equivalent Hf(1) and six equivalent Ni(1) atoms to form SiHf6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Hf6Ni6 cuboctahedra, faces with two equivalent Si(1)Hf6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Hf6Si2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.992
_cell_length_b   4.992
_cell_length_c   7.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   167.876
_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  0.333  0.667  0.446  1.0
  Hf  Hf1  1  0.667  0.333  0.554  1.0
  Hf  Hf2  1  0.667  0.333  0.946  1.0
  Hf  Hf3  1  0.333  0.667  0.054  1.0
  Si  Si4  1  0.000  0.000  0.500  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.833  0.167  0.250  1.0
  Ni  Ni7  1  0.833  0.666  0.250  1.0
  Ni  Ni8  1  0.334  0.167  0.250  1.0
  Ni  Ni9  1  0.167  0.833  0.750  1.0
  Ni  Ni10  1  0.167  0.334  0.750  1.0
  Ni  Ni11  1  0.666  0.833  0.750  1.0
[/CIF]
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The crystal structure described by Hf2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Hf(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiHf6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Hf6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Hf6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Hf6Si2Ni4 cuboctahedra. Si(1) is bonded to six equivalent Hf(1) and six equivalent Ni(1) atoms to form SiHf6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Hf6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Hf6Ni6 cuboctahedra, faces with two equivalent Si(1)Hf6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Hf6Si2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.992
_cell_length_b   4.992
_cell_length_c   7.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   167.876
_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  0.333  0.667  0.446  1.0
  Hf  Hf1  1  0.667  0.333  0.554  1.0
  Hf  Hf2  1  0.667  0.333  0.946  1.0
  Hf  Hf3  1  0.333  0.667  0.054  1.0
  Si  Si4  1  0.000  0.000  0.500  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.833  0.167  0.250  1.0
  Ni  Ni7  1  0.833  0.666  0.250  1.0
  Ni  Ni8  1  0.334  0.167  0.250  1.0
  Ni  Ni9  1  0.167  0.833  0.750  1.0
  Ni  Ni10  1  0.167  0.334  0.750  1.0
  Ni  Ni11  1  0.666  0.833  0.750  1.0
[/CIF]
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