The compound described by Nd6Cd(GeS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(3), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. Cd(1) is bonded in an octahedral geometry to three equivalent S(1) and three equivalent S(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(5) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Cd(1) atom to form distorted SNd4Cd trigonal bipyramids that share corners with two equivalent S(3)Nd3Ge tetrahedra, corners with two equivalent S(4)Nd3Ge tetrahedra,  a cornercorner with one S(2)Nd4Cd trigonal bipyramid, corners with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(2)Nd4Cd trigonal bipyramids, and faces with two equivalent S(2)Nd4Cd trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Cd(1) atom to form distorted SNd4Cd trigonal bipyramids that share corners with two equivalent S(3)Nd3Ge tetrahedra, corners with two equivalent S(4)Nd3Ge tetrahedra,  a cornercorner with one S(1)Nd4Cd trigonal bipyramid, corners with two equivalent S(2)Nd4Cd trigonal bipyramids, edges with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(2)Nd4Cd trigonal bipyramids, and faces with two equivalent S(1)Nd4Cd trigonal bipyramids. In the third S site, S(3) is bonded to three equivalent Nd(1) and one Ge(1) atom to form corner-sharing SNd3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Nd(2) and one Ge(2) atom to form corner-sharing SNd3Ge tetrahedra. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Ge(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Nd6Cd(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.246
_cell_length_b   10.246
_cell_length_c   5.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   527.038
_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  0.460  0.025  0.756  1.0
  Nd  Nd1  1  0.564  0.540  0.756  1.0
  Nd  Nd2  1  0.975  0.436  0.756  1.0
  Nd  Nd3  1  0.206  0.309  0.250  1.0
  Nd  Nd4  1  0.103  0.794  0.250  1.0
  Nd  Nd5  1  0.691  0.897  0.250  1.0
  Cd  Cd6  1  0.333  0.667  0.515  1.0
  Ge  Ge7  1  0.667  0.333  0.172  1.0
  Ge  Ge8  1  0.000  0.000  0.665  1.0
  S  S9  1  0.426  0.923  0.277  1.0
  S  S10  1  0.497  0.574  0.277  1.0
  S  S11  1  0.077  0.503  0.277  1.0
  S  S12  1  0.243  0.411  0.766  1.0
  S  S13  1  0.168  0.757  0.766  1.0
  S  S14  1  0.589  0.832  0.766  1.0
  S  S15  1  0.667  0.333  0.548  1.0
  S  S16  1  0.000  0.000  0.041  1.0
  S  S17  1  0.747  0.187  0.018  1.0
  S  S18  1  0.440  0.253  0.018  1.0
  S  S19  1  0.813  0.560  0.018  1.0
  S  S20  1  0.919  0.146  0.512  1.0
  S  S21  1  0.227  0.081  0.512  1.0
  S  S22  1  0.854  0.773  0.512  1.0
[/CIF]
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The compound described by Nd6Cd(GeS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one S(3), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. Cd(1) is bonded in an octahedral geometry to three equivalent S(1) and three equivalent S(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(5) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Cd(1) atom to form distorted SNd4Cd trigonal bipyramids that share corners with two equivalent S(3)Nd3Ge tetrahedra, corners with two equivalent S(4)Nd3Ge tetrahedra,  a cornercorner with one S(2)Nd4Cd trigonal bipyramid, corners with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(2)Nd4Cd trigonal bipyramids, and faces with two equivalent S(2)Nd4Cd trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Cd(1) atom to form distorted SNd4Cd trigonal bipyramids that share corners with two equivalent S(3)Nd3Ge tetrahedra, corners with two equivalent S(4)Nd3Ge tetrahedra,  a cornercorner with one S(1)Nd4Cd trigonal bipyramid, corners with two equivalent S(2)Nd4Cd trigonal bipyramids, edges with two equivalent S(1)Nd4Cd trigonal bipyramids, edges with two equivalent S(2)Nd4Cd trigonal bipyramids, and faces with two equivalent S(1)Nd4Cd trigonal bipyramids. In the third S site, S(3) is bonded to three equivalent Nd(1) and one Ge(1) atom to form corner-sharing SNd3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Nd(2) and one Ge(2) atom to form corner-sharing SNd3Ge tetrahedra. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Ge(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Nd6Cd(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.246
_cell_length_b   10.246
_cell_length_c   5.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   527.038
_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  0.460  0.025  0.756  1.0
  Nd  Nd1  1  0.564  0.540  0.756  1.0
  Nd  Nd2  1  0.975  0.436  0.756  1.0
  Nd  Nd3  1  0.206  0.309  0.250  1.0
  Nd  Nd4  1  0.103  0.794  0.250  1.0
  Nd  Nd5  1  0.691  0.897  0.250  1.0
  Cd  Cd6  1  0.333  0.667  0.515  1.0
  Ge  Ge7  1  0.667  0.333  0.172  1.0
  Ge  Ge8  1  0.000  0.000  0.665  1.0
  S  S9  1  0.426  0.923  0.277  1.0
  S  S10  1  0.497  0.574  0.277  1.0
  S  S11  1  0.077  0.503  0.277  1.0
  S  S12  1  0.243  0.411  0.766  1.0
  S  S13  1  0.168  0.757  0.766  1.0
  S  S14  1  0.589  0.832  0.766  1.0
  S  S15  1  0.667  0.333  0.548  1.0
  S  S16  1  0.000  0.000  0.041  1.0
  S  S17  1  0.747  0.187  0.018  1.0
  S  S18  1  0.440  0.253  0.018  1.0
  S  S19  1  0.813  0.560  0.018  1.0
  S  S20  1  0.919  0.146  0.512  1.0
  S  S21  1  0.227  0.081  0.512  1.0
  S  S22  1  0.854  0.773  0.512  1.0
[/CIF]
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