The compound described by ErMnSn2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one Sn(4), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Er site, Er(2) is bonded to two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(5) atoms to form a mixture of distorted corner and edge-sharing ErSn7 pentagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Sn(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(1) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to four equivalent Er(1) and two equivalent Mn(1) atoms. In the second Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Mn(1) atoms. In the third Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the fourth Sn site, Sn(5) is bonded in a 9-coordinate geometry to two equivalent Er(1), three equivalent Er(2), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the fifth Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Er(2), two equivalent Er(1), one Mn(2), two equivalent Mn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_ErMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   10.364
_cell_length_c   11.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1057.832
_cell_formula_units_Z   12
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  0.241  0.828  0.452  1.0
  Er  Er1  1  0.241  0.172  0.548  1.0
  Er  Er2  1  0.759  0.328  0.048  1.0
  Er  Er3  1  0.759  0.672  0.952  1.0
  Er  Er4  1  0.759  0.172  0.548  1.0
  Er  Er5  1  0.759  0.828  0.452  1.0
  Er  Er6  1  0.241  0.672  0.952  1.0
  Er  Er7  1  0.241  0.328  0.048  1.0
  Er  Er8  1  0.000  0.835  0.179  1.0
  Er  Er9  1  0.000  0.165  0.821  1.0
  Er  Er10  1  0.000  0.335  0.321  1.0
  Er  Er11  1  0.000  0.665  0.679  1.0
  Mn  Mn12  1  0.249  0.589  0.251  1.0
  Mn  Mn13  1  0.249  0.411  0.749  1.0
  Mn  Mn14  1  0.751  0.089  0.249  1.0
  Mn  Mn15  1  0.751  0.911  0.751  1.0
  Mn  Mn16  1  0.751  0.411  0.749  1.0
  Mn  Mn17  1  0.751  0.589  0.251  1.0
  Mn  Mn18  1  0.249  0.911  0.751  1.0
  Mn  Mn19  1  0.249  0.089  0.249  1.0
  Mn  Mn20  1  0.244  0.500  0.500  1.0
  Mn  Mn21  1  0.756  0.000  0.000  1.0
  Mn  Mn22  1  0.756  0.500  0.500  1.0
  Mn  Mn23  1  0.244  0.000  0.000  1.0
  Sn  Sn24  1  0.338  0.838  0.181  1.0
  Sn  Sn25  1  0.338  0.162  0.819  1.0
  Sn  Sn26  1  0.662  0.338  0.319  1.0
  Sn  Sn27  1  0.662  0.662  0.681  1.0
  Sn  Sn28  1  0.662  0.162  0.819  1.0
  Sn  Sn29  1  0.662  0.838  0.181  1.0
  Sn  Sn30  1  0.338  0.662  0.681  1.0
  Sn  Sn31  1  0.338  0.338  0.319  1.0
  Sn  Sn32  1  0.500  0.542  0.123  1.0
  Sn  Sn33  1  0.500  0.458  0.877  1.0
  Sn  Sn34  1  0.500  0.042  0.377  1.0
  Sn  Sn35  1  0.500  0.958  0.623  1.0
  Sn  Sn36  1  0.000  0.541  0.123  1.0
  Sn  Sn37  1  0.000  0.459  0.877  1.0
  Sn  Sn38  1  0.000  0.041  0.377  1.0
  Sn  Sn39  1  0.000  0.959  0.623  1.0
  Sn  Sn40  1  0.500  0.627  0.405  1.0
  Sn  Sn41  1  0.500  0.373  0.595  1.0
  Sn  Sn42  1  0.500  0.127  0.095  1.0
  Sn  Sn43  1  0.500  0.873  0.905  1.0
  Sn  Sn44  1  0.000  0.628  0.397  1.0
  Sn  Sn45  1  0.000  0.372  0.603  1.0
  Sn  Sn46  1  0.000  0.128  0.103  1.0
  Sn  Sn47  1  0.000  0.872  0.897  1.0
[/CIF]
.
The compound described by ErMnSn2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one Sn(4), one Sn(5), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Er site, Er(2) is bonded to two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(5) atoms to form a mixture of distorted corner and edge-sharing ErSn7 pentagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Sn(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(1) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(4), and two equivalent Sn(5) atoms. There are five inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to four equivalent Er(1) and two equivalent Mn(1) atoms. In the second Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Er(2), four equivalent Er(1), and two equivalent Mn(1) atoms. In the third Sn site, Sn(4) is bonded in a 6-coordinate geometry to two equivalent Er(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the fourth Sn site, Sn(5) is bonded in a 9-coordinate geometry to two equivalent Er(1), three equivalent Er(2), two equivalent Mn(1), and two equivalent Mn(2) atoms. In the fifth Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Er(2), two equivalent Er(1), one Mn(2), two equivalent Mn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_ErMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.979
_cell_length_b   10.364
_cell_length_c   11.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1057.832
_cell_formula_units_Z   12
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  0.241  0.828  0.452  1.0
  Er  Er1  1  0.241  0.172  0.548  1.0
  Er  Er2  1  0.759  0.328  0.048  1.0
  Er  Er3  1  0.759  0.672  0.952  1.0
  Er  Er4  1  0.759  0.172  0.548  1.0
  Er  Er5  1  0.759  0.828  0.452  1.0
  Er  Er6  1  0.241  0.672  0.952  1.0
  Er  Er7  1  0.241  0.328  0.048  1.0
  Er  Er8  1  0.000  0.835  0.179  1.0
  Er  Er9  1  0.000  0.165  0.821  1.0
  Er  Er10  1  0.000  0.335  0.321  1.0
  Er  Er11  1  0.000  0.665  0.679  1.0
  Mn  Mn12  1  0.249  0.589  0.251  1.0
  Mn  Mn13  1  0.249  0.411  0.749  1.0
  Mn  Mn14  1  0.751  0.089  0.249  1.0
  Mn  Mn15  1  0.751  0.911  0.751  1.0
  Mn  Mn16  1  0.751  0.411  0.749  1.0
  Mn  Mn17  1  0.751  0.589  0.251  1.0
  Mn  Mn18  1  0.249  0.911  0.751  1.0
  Mn  Mn19  1  0.249  0.089  0.249  1.0
  Mn  Mn20  1  0.244  0.500  0.500  1.0
  Mn  Mn21  1  0.756  0.000  0.000  1.0
  Mn  Mn22  1  0.756  0.500  0.500  1.0
  Mn  Mn23  1  0.244  0.000  0.000  1.0
  Sn  Sn24  1  0.338  0.838  0.181  1.0
  Sn  Sn25  1  0.338  0.162  0.819  1.0
  Sn  Sn26  1  0.662  0.338  0.319  1.0
  Sn  Sn27  1  0.662  0.662  0.681  1.0
  Sn  Sn28  1  0.662  0.162  0.819  1.0
  Sn  Sn29  1  0.662  0.838  0.181  1.0
  Sn  Sn30  1  0.338  0.662  0.681  1.0
  Sn  Sn31  1  0.338  0.338  0.319  1.0
  Sn  Sn32  1  0.500  0.542  0.123  1.0
  Sn  Sn33  1  0.500  0.458  0.877  1.0
  Sn  Sn34  1  0.500  0.042  0.377  1.0
  Sn  Sn35  1  0.500  0.958  0.623  1.0
  Sn  Sn36  1  0.000  0.541  0.123  1.0
  Sn  Sn37  1  0.000  0.459  0.877  1.0
  Sn  Sn38  1  0.000  0.041  0.377  1.0
  Sn  Sn39  1  0.000  0.959  0.623  1.0
  Sn  Sn40  1  0.500  0.627  0.405  1.0
  Sn  Sn41  1  0.500  0.373  0.595  1.0
  Sn  Sn42  1  0.500  0.127  0.095  1.0
  Sn  Sn43  1  0.500  0.873  0.905  1.0
  Sn  Sn44  1  0.000  0.628  0.397  1.0
  Sn  Sn45  1  0.000  0.372  0.603  1.0
  Sn  Sn46  1  0.000  0.128  0.103  1.0
  Sn  Sn47  1  0.000  0.872  0.897  1.0
[/CIF]
.