The structure described by Ni3Nb2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Nb(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiNb6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Nb6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form SiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Nb6Ni6 cuboctahedra, faces with two equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   4.872
_cell_length_c   7.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.379
_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
  Nb  Nb0  1  0.333  0.667  0.440  1.0
  Nb  Nb1  1  0.667  0.333  0.560  1.0
  Nb  Nb2  1  0.667  0.333  0.940  1.0
  Nb  Nb3  1  0.333  0.667  0.060  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  0.831  0.169  0.250  1.0
  Ni  Ni7  1  0.831  0.662  0.250  1.0
  Ni  Ni8  1  0.338  0.169  0.250  1.0
  Ni  Ni9  1  0.169  0.831  0.750  1.0
  Ni  Ni10  1  0.169  0.338  0.750  1.0
  Ni  Ni11  1  0.662  0.831  0.750  1.0
[/CIF]
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The structure described by Ni3Nb2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), nine equivalent Ni(1), and three equivalent Si(1) atoms. Ni(1) is bonded to six equivalent Nb(1), four equivalent Ni(1), and two equivalent Si(1) atoms to form NiNb6Si2Ni4 cuboctahedra that share corners with four equivalent Si(1)Nb6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, faces with six equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. Si(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form SiNb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Nb6Si2Ni4 cuboctahedra, edges with six equivalent Si(1)Nb6Ni6 cuboctahedra, faces with two equivalent Si(1)Nb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Nb6Si2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Nb2SiNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   4.872
_cell_length_c   7.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.379
_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
  Nb  Nb0  1  0.333  0.667  0.440  1.0
  Nb  Nb1  1  0.667  0.333  0.560  1.0
  Nb  Nb2  1  0.667  0.333  0.940  1.0
  Nb  Nb3  1  0.333  0.667  0.060  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  0.831  0.169  0.250  1.0
  Ni  Ni7  1  0.831  0.662  0.250  1.0
  Ni  Ni8  1  0.338  0.169  0.250  1.0
  Ni  Ni9  1  0.169  0.831  0.750  1.0
  Ni  Ni10  1  0.169  0.338  0.750  1.0
  Ni  Ni11  1  0.662  0.831  0.750  1.0
[/CIF]
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