The material structure described by ErSn3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(4) atoms to form ErSn12 cuboctahedra that share corners with four equivalent Er(1)Sn12 cuboctahedra, corners with two equivalent Sn(2)Er4Sn square pyramids, and faces with four equivalent Er(1)Sn12 cuboctahedra. In the second Er site, Er(2) is bonded in a 9-coordinate geometry to one Sn(5), two equivalent Sn(1), two equivalent Sn(6), and four equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and four equivalent Sn(6) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Er(2) and one Sn(3) atom to form distorted SnEr4Sn square pyramids that share corners with two equivalent Er(1)Sn12 cuboctahedra, corners with four equivalent Sn(2)Er4Sn square pyramids, and edges with four equivalent Sn(2)Er4Sn square pyramids. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Sn(2), two equivalent Sn(4), and four equivalent Sn(5) atoms. In the fourth Sn site, Sn(4) is bonded in a rectangular see-saw-like geometry to four equivalent Er(1), two equivalent Sn(3), and two equivalent Sn(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the sixth Sn site, Sn(6) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and four equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.257
_cell_length_b   11.257
_cell_length_c   4.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.413
_symmetry_Int_Tables_number   1
_cell_volume   216.510
_cell_formula_units_Z   2
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  0.518  0.482  0.500  1.0
  Er  Er1  1  0.786  0.214  0.000  1.0
  Sn  Sn2  1  0.901  0.099  0.500  1.0
  Sn  Sn3  1  0.273  0.727  0.500  1.0
  Sn  Sn4  1  0.136  0.864  0.500  1.0
  Sn  Sn5  1  0.024  0.976  0.000  1.0
  Sn  Sn6  1  0.637  0.363  0.000  1.0
  Sn  Sn7  1  0.399  0.601  0.000  1.0
[/CIF]
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The material structure described by ErSn3 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent Sn(1), two equivalent Sn(3), two equivalent Sn(5), two equivalent Sn(6), and four equivalent Sn(4) atoms to form ErSn12 cuboctahedra that share corners with four equivalent Er(1)Sn12 cuboctahedra, corners with two equivalent Sn(2)Er4Sn square pyramids, and faces with four equivalent Er(1)Sn12 cuboctahedra. In the second Er site, Er(2) is bonded in a 9-coordinate geometry to one Sn(5), two equivalent Sn(1), two equivalent Sn(6), and four equivalent Sn(2) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and four equivalent Sn(6) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Er(2) and one Sn(3) atom to form distorted SnEr4Sn square pyramids that share corners with two equivalent Er(1)Sn12 cuboctahedra, corners with four equivalent Sn(2)Er4Sn square pyramids, and edges with four equivalent Sn(2)Er4Sn square pyramids. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), one Sn(2), two equivalent Sn(4), and four equivalent Sn(5) atoms. In the fourth Sn site, Sn(4) is bonded in a rectangular see-saw-like geometry to four equivalent Er(1), two equivalent Sn(3), and two equivalent Sn(5) atoms. In the fifth Sn site, Sn(5) is bonded in a 9-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the sixth Sn site, Sn(6) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(2), and four equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.257
_cell_length_b   11.257
_cell_length_c   4.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.413
_symmetry_Int_Tables_number   1
_cell_volume   216.510
_cell_formula_units_Z   2
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  0.518  0.482  0.500  1.0
  Er  Er1  1  0.786  0.214  0.000  1.0
  Sn  Sn2  1  0.901  0.099  0.500  1.0
  Sn  Sn3  1  0.273  0.727  0.500  1.0
  Sn  Sn4  1  0.136  0.864  0.500  1.0
  Sn  Sn5  1  0.024  0.976  0.000  1.0
  Sn  Sn6  1  0.637  0.363  0.000  1.0
  Sn  Sn7  1  0.399  0.601  0.000  1.0
[/CIF]
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