The structure described by NiAuSn2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Ni(1) is bonded to six equivalent Sn(1) atoms to form distorted NiSn6 pentagonal pyramids that share corners with six equivalent Au(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Au(1) is bonded to six equivalent Sn(1) atoms to form distorted AuSn6 pentagonal pyramids that share corners with six equivalent Ni(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Sn(1) is bonded to three equivalent Ni(1) and three equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing SnNi3Au3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.604
_cell_length_b   3.604
_cell_length_c   7.368
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.892
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.333  0.667  0.778  1.0
  Sn  Sn2  1  0.333  0.667  0.222  1.0
  Au  Au3  1  0.667  0.333  0.500  1.0
[/CIF]
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The structure described by NiAuSn2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Ni(1) is bonded to six equivalent Sn(1) atoms to form distorted NiSn6 pentagonal pyramids that share corners with six equivalent Au(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Au(1) is bonded to six equivalent Sn(1) atoms to form distorted AuSn6 pentagonal pyramids that share corners with six equivalent Ni(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Sn(1) is bonded to three equivalent Ni(1) and three equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing SnNi3Au3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.604
_cell_length_b   3.604
_cell_length_c   7.368
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.892
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.333  0.667  0.778  1.0
  Sn  Sn2  1  0.333  0.667  0.222  1.0
  Au  Au3  1  0.667  0.333  0.500  1.0
[/CIF]
.