The material described by Na3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent Ni(1) atoms to form distorted NaNa4Ni4 cuboctahedra that share corners with eight equivalent Na(1)Na4Ni4 cuboctahedra, corners with eight equivalent Na(2)Na8Ni4 cuboctahedra, corners with eight equivalent Ni(1)Na12 cuboctahedra, edges with four equivalent Na(2)Na8Ni4 cuboctahedra, edges with four equivalent Ni(1)Na12 cuboctahedra, edges with twelve equivalent Na(1)Na4Ni4 cuboctahedra, and faces with six equivalent Na(1)Na4Ni4 cuboctahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Ni(1) atoms to form distorted NaNa8Ni4 cuboctahedra that share corners with four equivalent Na(2)Na8Ni4 cuboctahedra, corners with eight equivalent Ni(1)Na12 cuboctahedra, corners with sixteen equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(2)Na8Ni4 cuboctahedra, faces with four equivalent Na(2)Na8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Na12 cuboctahedra. Ni(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form NiNa12 cuboctahedra that share corners with four equivalent Ni(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Ni4 cuboctahedra, corners with sixteen equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Na12 cuboctahedra, faces with four equivalent Ni(1)Na12 cuboctahedra, and faces with six equivalent Na(2)Na8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Na3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   5.524
_cell_angle_alpha   130.435
_cell_angle_beta   130.435
_cell_angle_gamma   72.712
_symmetry_Int_Tables_number   1
_cell_volume   95.409
_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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Na3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent Ni(1) atoms to form distorted NaNa4Ni4 cuboctahedra that share corners with eight equivalent Na(1)Na4Ni4 cuboctahedra, corners with eight equivalent Na(2)Na8Ni4 cuboctahedra, corners with eight equivalent Ni(1)Na12 cuboctahedra, edges with four equivalent Na(2)Na8Ni4 cuboctahedra, edges with four equivalent Ni(1)Na12 cuboctahedra, edges with twelve equivalent Na(1)Na4Ni4 cuboctahedra, and faces with six equivalent Na(1)Na4Ni4 cuboctahedra. In the second Na site, Na(2) is bonded to eight equivalent Na(1) and four equivalent Ni(1) atoms to form distorted NaNa8Ni4 cuboctahedra that share corners with four equivalent Na(2)Na8Ni4 cuboctahedra, corners with eight equivalent Ni(1)Na12 cuboctahedra, corners with sixteen equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(2)Na8Ni4 cuboctahedra, faces with four equivalent Na(2)Na8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Na12 cuboctahedra. Ni(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form NiNa12 cuboctahedra that share corners with four equivalent Ni(1)Na12 cuboctahedra, corners with eight equivalent Na(2)Na8Ni4 cuboctahedra, corners with sixteen equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4 cuboctahedra, edges with eight equivalent Ni(1)Na12 cuboctahedra, faces with four equivalent Ni(1)Na12 cuboctahedra, and faces with six equivalent Na(2)Na8Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_Na3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   5.524
_cell_angle_alpha   130.435
_cell_angle_beta   130.435
_cell_angle_gamma   72.712
_symmetry_Int_Tables_number   1
_cell_volume   95.409
_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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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