The crystal structure described by Ni1Ag3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form NiAg12 cuboctahedra that share corners with four equivalent Ni(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, edges with eight equivalent Ni(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ni4Ag8 cuboctahedra, faces with four equivalent Ni(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ni4Ag8 cuboctahedra, and faces with eight equivalent Ag(1)Ni4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Ni(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form AgNi4Ag8 cuboctahedra that share corners with twelve equivalent Ag(1)Ni4Ag8 cuboctahedra, edges with eight equivalent Ni(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Ni4Ag8 cuboctahedra, edges with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, faces with four equivalent Ni(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ni4Ag8 cuboctahedra, and faces with ten equivalent Ag(1)Ni4Ag8 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Ni(1) and eight equivalent Ag(1) atoms to form AgNi4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Ni4Ag8 cuboctahedra, corners with eight equivalent Ni(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, edges with sixteen equivalent Ag(1)Ni4Ag8 cuboctahedra, faces with four equivalent Ag(2)Ni4Ag8 cuboctahedra, faces with six equivalent Ni(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ni4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   131.545
_cell_angle_beta   131.545
_cell_angle_gamma   70.949
_symmetry_Int_Tables_number   1
_cell_volume   64.569
_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
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.750  0.250  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Ni1Ag3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ni(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form NiAg12 cuboctahedra that share corners with four equivalent Ni(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, edges with eight equivalent Ni(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Ni4Ag8 cuboctahedra, faces with four equivalent Ni(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Ni4Ag8 cuboctahedra, and faces with eight equivalent Ag(1)Ni4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Ni(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form AgNi4Ag8 cuboctahedra that share corners with twelve equivalent Ag(1)Ni4Ag8 cuboctahedra, edges with eight equivalent Ni(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Ni4Ag8 cuboctahedra, edges with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, faces with four equivalent Ni(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Ni4Ag8 cuboctahedra, and faces with ten equivalent Ag(1)Ni4Ag8 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Ni(1) and eight equivalent Ag(1) atoms to form AgNi4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Ni4Ag8 cuboctahedra, corners with eight equivalent Ni(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ni4Ag8 cuboctahedra, edges with sixteen equivalent Ag(1)Ni4Ag8 cuboctahedra, faces with four equivalent Ag(2)Ni4Ag8 cuboctahedra, faces with six equivalent Ni(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Ni4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   131.545
_cell_angle_beta   131.545
_cell_angle_gamma   70.949
_symmetry_Int_Tables_number   1
_cell_volume   64.569
_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
  Ag  Ag1  1  0.250  0.750  0.500  1.0
  Ag  Ag2  1  0.750  0.250  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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