The compound described by Nd2SnS5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded to four equivalent Nd(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SNd4Sn trigonal bipyramids. In the third S site, S(3) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.925
_cell_length_b   7.894
_cell_length_c   11.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.564
_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
  Nd  Nd0  1  0.500  0.452  0.172  1.0
  Nd  Nd1  1  0.500  0.048  0.672  1.0
  Nd  Nd2  1  0.500  0.952  0.328  1.0
  Nd  Nd3  1  0.500  0.548  0.828  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.500  0.176  0.916  1.0
  S  S7  1  0.000  0.662  0.304  1.0
  S  S8  1  0.500  0.824  0.084  1.0
  S  S9  1  0.000  0.838  0.804  1.0
  S  S10  1  0.500  0.324  0.416  1.0
  S  S11  1  0.000  0.162  0.196  1.0
  S  S12  1  0.000  0.338  0.696  1.0
  S  S13  1  0.500  0.676  0.584  1.0
  S  S14  1  0.000  0.000  0.500  1.0
  S  S15  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Nd2SnS5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form edge-sharing SnS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded to four equivalent Nd(1) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SNd4Sn trigonal bipyramids. In the third S site, S(3) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.925
_cell_length_b   7.894
_cell_length_c   11.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.564
_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
  Nd  Nd0  1  0.500  0.452  0.172  1.0
  Nd  Nd1  1  0.500  0.048  0.672  1.0
  Nd  Nd2  1  0.500  0.952  0.328  1.0
  Nd  Nd3  1  0.500  0.548  0.828  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.500  0.176  0.916  1.0
  S  S7  1  0.000  0.662  0.304  1.0
  S  S8  1  0.500  0.824  0.084  1.0
  S  S9  1  0.000  0.838  0.804  1.0
  S  S10  1  0.500  0.324  0.416  1.0
  S  S11  1  0.000  0.162  0.196  1.0
  S  S12  1  0.000  0.338  0.696  1.0
  S  S13  1  0.500  0.676  0.584  1.0
  S  S14  1  0.000  0.000  0.500  1.0
  S  S15  1  0.000  0.500  0.000  1.0
[/CIF]
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