The structure described by Er3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Er(1), four equivalent Er(2), and four equivalent Sn(1) atoms to form distorted ErEr8Sn4 cuboctahedra that share corners with twelve equivalent Er(1)Er8Sn4 cuboctahedra, edges with eight equivalent Er(1)Er8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er12 cuboctahedra, faces with four equivalent Sn(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Er8Sn4 cuboctahedra. In the second Er site, Er(2) is bonded in a square co-planar geometry to eight equivalent Er(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form SnEr12 cuboctahedra that share corners with four equivalent Sn(1)Er12 cuboctahedra, edges with eight equivalent Sn(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Er8Sn4 cuboctahedra, faces with four equivalent Sn(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Er8Sn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   6.087
_cell_angle_alpha   135.204
_cell_angle_beta   135.204
_cell_angle_gamma   65.213
_symmetry_Int_Tables_number   1
_cell_volume   110.339
_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
  Er  Er0  1  0.750  0.250  0.500  1.0
  Er  Er1  1  0.250  0.750  0.500  1.0
  Er  Er2  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 structure described by Er3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to four equivalent Er(1), four equivalent Er(2), and four equivalent Sn(1) atoms to form distorted ErEr8Sn4 cuboctahedra that share corners with twelve equivalent Er(1)Er8Sn4 cuboctahedra, edges with eight equivalent Er(1)Er8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er12 cuboctahedra, faces with four equivalent Sn(1)Er12 cuboctahedra, and faces with ten equivalent Er(1)Er8Sn4 cuboctahedra. In the second Er site, Er(2) is bonded in a square co-planar geometry to eight equivalent Er(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Er(2) and eight equivalent Er(1) atoms to form SnEr12 cuboctahedra that share corners with four equivalent Sn(1)Er12 cuboctahedra, edges with eight equivalent Sn(1)Er12 cuboctahedra, edges with sixteen equivalent Er(1)Er8Sn4 cuboctahedra, faces with four equivalent Sn(1)Er12 cuboctahedra, and faces with eight equivalent Er(1)Er8Sn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   6.087
_cell_angle_alpha   135.204
_cell_angle_beta   135.204
_cell_angle_gamma   65.213
_symmetry_Int_Tables_number   1
_cell_volume   110.339
_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
  Er  Er0  1  0.750  0.250  0.500  1.0
  Er  Er1  1  0.250  0.750  0.500  1.0
  Er  Er2  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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