The compound described by Y6Zn(GeS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. Zn(1) is bonded in an octahedral geometry to three equivalent S(5) and three equivalent S(6) 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(1) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(2) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Ge(2) atom. In the third S site, S(3) is bonded to three equivalent Y(1) and one Ge(1) atom to form corner-sharing SY3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Y(2) and one Ge(2) atom to form corner-sharing SY3Ge tetrahedra. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Zn(1) atom. In the sixth S site, S(6) is bonded to two equivalent Y(1), two equivalent Y(2), and one Zn(1) atom to form distorted SY4Zn trigonal bipyramids that share corners with two equivalent S(3)Y3Ge tetrahedra, corners with two equivalent S(4)Y3Ge tetrahedra, corners with two equivalent S(6)Y4Zn trigonal bipyramids, and edges with two equivalent S(6)Y4Zn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Zn(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.931
_cell_length_b   9.931
_cell_length_c   5.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   487.897
_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
  Y  Y0  1  0.312  0.104  0.749  1.0
  Y  Y1  1  0.792  0.688  0.749  1.0
  Y  Y2  1  0.896  0.208  0.749  1.0
  Y  Y3  1  0.022  0.563  0.251  1.0
  Y  Y4  1  0.541  0.978  0.251  1.0
  Y  Y5  1  0.437  0.459  0.251  1.0
  Zn  Zn6  1  0.667  0.333  0.511  1.0
  Ge  Ge7  1  0.000  0.000  0.171  1.0
  Ge  Ge8  1  0.333  0.667  0.669  1.0
  S  S9  1  0.151  0.234  0.007  1.0
  S  S10  1  0.083  0.849  0.007  1.0
  S  S11  1  0.766  0.917  0.007  1.0
  S  S12  1  0.183  0.433  0.505  1.0
  S  S13  1  0.250  0.817  0.505  1.0
  S  S14  1  0.567  0.750  0.505  1.0
  S  S15  1  0.000  0.000  0.554  1.0
  S  S16  1  0.333  0.667  0.052  1.0
  S  S17  1  0.417  0.175  0.282  1.0
  S  S18  1  0.757  0.583  0.282  1.0
  S  S19  1  0.825  0.243  0.282  1.0
  S  S20  1  0.917  0.495  0.761  1.0
  S  S21  1  0.578  0.083  0.761  1.0
  S  S22  1  0.505  0.422  0.761  1.0
[/CIF]
.
The compound described by Y6Zn(GeS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), two equivalent S(1), two equivalent S(5), and two equivalent S(6) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. Zn(1) is bonded in an octahedral geometry to three equivalent S(5) and three equivalent S(6) 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(1) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(4) and three equivalent S(2) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Ge(2) atom. In the third S site, S(3) is bonded to three equivalent Y(1) and one Ge(1) atom to form corner-sharing SY3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Y(2) and one Ge(2) atom to form corner-sharing SY3Ge tetrahedra. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Zn(1) atom. In the sixth S site, S(6) is bonded to two equivalent Y(1), two equivalent Y(2), and one Zn(1) atom to form distorted SY4Zn trigonal bipyramids that share corners with two equivalent S(3)Y3Ge tetrahedra, corners with two equivalent S(4)Y3Ge tetrahedra, corners with two equivalent S(6)Y4Zn trigonal bipyramids, and edges with two equivalent S(6)Y4Zn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y6Zn(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.931
_cell_length_b   9.931
_cell_length_c   5.712
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   487.897
_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
  Y  Y0  1  0.312  0.104  0.749  1.0
  Y  Y1  1  0.792  0.688  0.749  1.0
  Y  Y2  1  0.896  0.208  0.749  1.0
  Y  Y3  1  0.022  0.563  0.251  1.0
  Y  Y4  1  0.541  0.978  0.251  1.0
  Y  Y5  1  0.437  0.459  0.251  1.0
  Zn  Zn6  1  0.667  0.333  0.511  1.0
  Ge  Ge7  1  0.000  0.000  0.171  1.0
  Ge  Ge8  1  0.333  0.667  0.669  1.0
  S  S9  1  0.151  0.234  0.007  1.0
  S  S10  1  0.083  0.849  0.007  1.0
  S  S11  1  0.766  0.917  0.007  1.0
  S  S12  1  0.183  0.433  0.505  1.0
  S  S13  1  0.250  0.817  0.505  1.0
  S  S14  1  0.567  0.750  0.505  1.0
  S  S15  1  0.000  0.000  0.554  1.0
  S  S16  1  0.333  0.667  0.052  1.0
  S  S17  1  0.417  0.175  0.282  1.0
  S  S18  1  0.757  0.583  0.282  1.0
  S  S19  1  0.825  0.243  0.282  1.0
  S  S20  1  0.917  0.495  0.761  1.0
  S  S21  1  0.578  0.083  0.761  1.0
  S  S22  1  0.505  0.422  0.761  1.0
[/CIF]
.