The material structure described by Na2NiSn crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2), four equivalent Ni(1), and four equivalent Sn(1) atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Na(1)Na4Ni4Sn4 cuboctahedra. In the second Na site, Na(2) is bonded to four equivalent Na(1), four equivalent Ni(1), and four equivalent Sn(1) atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Na(2)Na4Ni4Sn4 cuboctahedra. Ni(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Sn(1) atoms to form NiNa8Sn4 cuboctahedra that share corners with twelve equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Na8Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Ni(1) atoms to form SnNa8Ni4 cuboctahedra that share corners with twelve equivalent Sn(1)Na8Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Na8Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.684
_cell_length_b   4.264
_cell_length_c   5.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.641
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Na2NiSn crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2), four equivalent Ni(1), and four equivalent Sn(1) atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Na(1)Na4Ni4Sn4 cuboctahedra. In the second Na site, Na(2) is bonded to four equivalent Na(1), four equivalent Ni(1), and four equivalent Sn(1) atoms to form NaNa4Ni4Sn4 cuboctahedra that share corners with twelve equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Na(2)Na4Ni4Sn4 cuboctahedra. Ni(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Sn(1) atoms to form NiNa8Sn4 cuboctahedra that share corners with twelve equivalent Ni(1)Na8Sn4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Sn(1)Na8Ni4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Sn(1)Na8Ni4 cuboctahedra, and faces with six equivalent Ni(1)Na8Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Ni(1) atoms to form SnNa8Ni4 cuboctahedra that share corners with twelve equivalent Sn(1)Na8Ni4 cuboctahedra, edges with eight equivalent Na(1)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Na(2)Na4Ni4Sn4 cuboctahedra, edges with eight equivalent Ni(1)Na8Sn4 cuboctahedra, faces with four equivalent Na(1)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Na(2)Na4Ni4Sn4 cuboctahedra, faces with four equivalent Ni(1)Na8Sn4 cuboctahedra, and faces with six equivalent Sn(1)Na8Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.684
_cell_length_b   4.264
_cell_length_c   5.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.641
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.000  0.500  1.0
[/CIF]
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