The structure described by Nd3Mn4Sn4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form edge-sharing NdSn6 octahedra. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to six equivalent Mn(1), two equivalent Sn(1), and four equivalent Sn(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to three equivalent Nd(2), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Mn(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Nd3(MnSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.619
_cell_length_b   7.413
_cell_length_c   8.734
_cell_angle_alpha   115.110
_cell_angle_beta   105.335
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.005
_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
  Nd  Nd0  1  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.872  0.872  0.745  1.0
  Nd  Nd2  1  0.128  0.128  0.255  1.0
  Mn  Mn3  1  0.672  0.858  0.344  1.0
  Mn  Mn4  1  0.672  0.486  0.344  1.0
  Mn  Mn5  1  0.328  0.514  0.656  1.0
  Mn  Mn6  1  0.328  0.142  0.656  1.0
  Sn  Sn7  1  0.784  0.284  0.568  1.0
  Sn  Sn8  1  0.216  0.716  0.432  1.0
  Sn  Sn9  1  0.500  0.199  0.000  1.0
  Sn  Sn10  1  0.500  0.801  0.000  1.0
[/CIF]
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The structure described by Nd3Mn4Sn4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(1) and four equivalent Sn(2) atoms to form edge-sharing NdSn6 octahedra. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to six equivalent Mn(1), two equivalent Sn(1), and four equivalent Sn(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to three equivalent Nd(2), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Mn(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_Nd3(MnSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.619
_cell_length_b   7.413
_cell_length_c   8.734
_cell_angle_alpha   115.110
_cell_angle_beta   105.335
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.005
_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
  Nd  Nd0  1  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.872  0.872  0.745  1.0
  Nd  Nd2  1  0.128  0.128  0.255  1.0
  Mn  Mn3  1  0.672  0.858  0.344  1.0
  Mn  Mn4  1  0.672  0.486  0.344  1.0
  Mn  Mn5  1  0.328  0.514  0.656  1.0
  Mn  Mn6  1  0.328  0.142  0.656  1.0
  Sn  Sn7  1  0.784  0.284  0.568  1.0
  Sn  Sn8  1  0.216  0.716  0.432  1.0
  Sn  Sn9  1  0.500  0.199  0.000  1.0
  Sn  Sn10  1  0.500  0.801  0.000  1.0
[/CIF]
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