The material described by ErIn2Sn is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to eight equivalent In(1) and four equivalent Sn(1) atoms to form ErIn8Sn4 cuboctahedra that share corners with twelve equivalent Er(1)In8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er4In8 cuboctahedra, edges with sixteen equivalent In(1)Er4In4Sn4 cuboctahedra, faces with four equivalent Sn(1)Er4In8 cuboctahedra, faces with six equivalent Er(1)In8Sn4 cuboctahedra, and faces with eight equivalent In(1)Er4In4Sn4 cuboctahedra. In(1) is bonded to four equivalent Er(1), four equivalent In(1), and four equivalent Sn(1) atoms to form InEr4In4Sn4 cuboctahedra that share corners with twelve equivalent In(1)Er4In4Sn4 cuboctahedra, edges with eight equivalent Er(1)In8Sn4 cuboctahedra, edges with eight equivalent In(1)Er4In4Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er4In8 cuboctahedra, faces with four equivalent Er(1)In8Sn4 cuboctahedra, faces with four equivalent Sn(1)Er4In8 cuboctahedra, and faces with ten equivalent In(1)Er4In4Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Er(1) and eight equivalent In(1) atoms to form SnEr4In8 cuboctahedra that share corners with twelve equivalent Sn(1)Er4In8 cuboctahedra, edges with eight equivalent Er(1)In8Sn4 cuboctahedra, edges with sixteen equivalent In(1)Er4In4Sn4 cuboctahedra, faces with four equivalent Er(1)In8Sn4 cuboctahedra, faces with six equivalent Sn(1)Er4In8 cuboctahedra, and faces with eight equivalent In(1)Er4In4Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_ErIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.521
_cell_length_b   4.521
_cell_length_c   4.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.298
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.000  0.500  1.0
  In  In2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by ErIn2Sn is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Er(1) is bonded to eight equivalent In(1) and four equivalent Sn(1) atoms to form ErIn8Sn4 cuboctahedra that share corners with twelve equivalent Er(1)In8Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er4In8 cuboctahedra, edges with sixteen equivalent In(1)Er4In4Sn4 cuboctahedra, faces with four equivalent Sn(1)Er4In8 cuboctahedra, faces with six equivalent Er(1)In8Sn4 cuboctahedra, and faces with eight equivalent In(1)Er4In4Sn4 cuboctahedra. In(1) is bonded to four equivalent Er(1), four equivalent In(1), and four equivalent Sn(1) atoms to form InEr4In4Sn4 cuboctahedra that share corners with twelve equivalent In(1)Er4In4Sn4 cuboctahedra, edges with eight equivalent Er(1)In8Sn4 cuboctahedra, edges with eight equivalent In(1)Er4In4Sn4 cuboctahedra, edges with eight equivalent Sn(1)Er4In8 cuboctahedra, faces with four equivalent Er(1)In8Sn4 cuboctahedra, faces with four equivalent Sn(1)Er4In8 cuboctahedra, and faces with ten equivalent In(1)Er4In4Sn4 cuboctahedra. Sn(1) is bonded to four equivalent Er(1) and eight equivalent In(1) atoms to form SnEr4In8 cuboctahedra that share corners with twelve equivalent Sn(1)Er4In8 cuboctahedra, edges with eight equivalent Er(1)In8Sn4 cuboctahedra, edges with sixteen equivalent In(1)Er4In4Sn4 cuboctahedra, faces with four equivalent Er(1)In8Sn4 cuboctahedra, faces with six equivalent Sn(1)Er4In8 cuboctahedra, and faces with eight equivalent In(1)Er4In4Sn4 cuboctahedra. is represented by the CIF card [CIF]
data_ErIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.521
_cell_length_b   4.521
_cell_length_c   4.809
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.298
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.000  0.500  1.0
  In  In2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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