The material described by Er2Sn5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(4), and four equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent Er(1) and five equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Er(1) and five equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Er(1), four equivalent Er(2), and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to four equivalent Er(2) and four equivalent Sn(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.322
_cell_length_b   4.387
_cell_length_c   19.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.428
_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  0.500  0.000  0.200  1.0
  Er  Er1  1  0.000  0.500  0.800  1.0
  Er  Er2  1  0.500  0.500  0.628  1.0
  Er  Er3  1  0.000  0.000  0.372  1.0
  Sn  Sn4  1  0.500  0.500  0.925  1.0
  Sn  Sn5  1  0.000  0.000  0.075  1.0
  Sn  Sn6  1  0.500  0.500  0.076  1.0
  Sn  Sn7  1  0.000  0.000  0.924  1.0
  Sn  Sn8  1  0.500  0.000  0.763  1.0
  Sn  Sn9  1  0.000  0.500  0.237  1.0
  Sn  Sn10  1  0.500  0.500  0.343  1.0
  Sn  Sn11  1  0.000  0.000  0.657  1.0
  Sn  Sn12  1  0.500  0.000  0.502  1.0
  Sn  Sn13  1  0.000  0.500  0.498  1.0
[/CIF]
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The material described by Er2Sn5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 10-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), two equivalent Sn(4), and four equivalent Sn(3) atoms. In the second Er site, Er(2) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(4), and four equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent Er(1) and five equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 7-coordinate geometry to two equivalent Er(1) and five equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Sn(4) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to two equivalent Er(1), four equivalent Er(2), and two equivalent Sn(3) atoms. In the fifth Sn site, Sn(5) is bonded in a 8-coordinate geometry to four equivalent Er(2) and four equivalent Sn(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.322
_cell_length_b   4.387
_cell_length_c   19.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.428
_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  0.500  0.000  0.200  1.0
  Er  Er1  1  0.000  0.500  0.800  1.0
  Er  Er2  1  0.500  0.500  0.628  1.0
  Er  Er3  1  0.000  0.000  0.372  1.0
  Sn  Sn4  1  0.500  0.500  0.925  1.0
  Sn  Sn5  1  0.000  0.000  0.075  1.0
  Sn  Sn6  1  0.500  0.500  0.076  1.0
  Sn  Sn7  1  0.000  0.000  0.924  1.0
  Sn  Sn8  1  0.500  0.000  0.763  1.0
  Sn  Sn9  1  0.000  0.500  0.237  1.0
  Sn  Sn10  1  0.500  0.500  0.343  1.0
  Sn  Sn11  1  0.000  0.000  0.657  1.0
  Sn  Sn12  1  0.500  0.000  0.502  1.0
  Sn  Sn13  1  0.000  0.500  0.498  1.0
[/CIF]
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