The material structure described by Lu3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Lu(1), four equivalent Lu(2), and four equivalent Sn(1) atoms to form distorted LuLu8Sn4 cuboctahedra that share corners with twelve equivalent Lu(1)Lu8Sn4 cuboctahedra, edges with eight equivalent Lu(1)Lu8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Lu12 cuboctahedra, faces with four equivalent Sn(1)Lu12 cuboctahedra, and faces with ten equivalent Lu(1)Lu8Sn4 cuboctahedra. In the second Lu site, Lu(2) is bonded in a square co-planar geometry to eight equivalent Lu(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Lu(2) and eight equivalent Lu(1) atoms to form SnLu12 cuboctahedra that share corners with four equivalent Sn(1)Lu12 cuboctahedra, edges with eight equivalent Sn(1)Lu12 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Sn4 cuboctahedra, faces with four equivalent Sn(1)Lu12 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Lu3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   135.681
_cell_angle_beta   135.681
_cell_angle_gamma   64.475
_symmetry_Int_Tables_number   1
_cell_volume   106.991
_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
  Lu  Lu0  1  0.750  0.250  0.500  1.0
  Lu  Lu1  1  0.250  0.750  0.500  1.0
  Lu  Lu2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Lu3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Lu(1), four equivalent Lu(2), and four equivalent Sn(1) atoms to form distorted LuLu8Sn4 cuboctahedra that share corners with twelve equivalent Lu(1)Lu8Sn4 cuboctahedra, edges with eight equivalent Lu(1)Lu8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Lu12 cuboctahedra, faces with four equivalent Sn(1)Lu12 cuboctahedra, and faces with ten equivalent Lu(1)Lu8Sn4 cuboctahedra. In the second Lu site, Lu(2) is bonded in a square co-planar geometry to eight equivalent Lu(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Lu(2) and eight equivalent Lu(1) atoms to form SnLu12 cuboctahedra that share corners with four equivalent Sn(1)Lu12 cuboctahedra, edges with eight equivalent Sn(1)Lu12 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Sn4 cuboctahedra, faces with four equivalent Sn(1)Lu12 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Lu3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   135.681
_cell_angle_beta   135.681
_cell_angle_gamma   64.475
_symmetry_Int_Tables_number   1
_cell_volume   106.991
_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
  Lu  Lu0  1  0.750  0.250  0.500  1.0
  Lu  Lu1  1  0.250  0.750  0.500  1.0
  Lu  Lu2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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