The crystal structure described by Y6Mn(SiS7)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(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Y(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to three equivalent Y(2) and one Si(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_Y6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.878
_cell_length_b   9.878
_cell_length_c   5.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   477.976
_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  0.873  0.231  0.251  1.0
  Y  Y1  1  0.769  0.642  0.251  1.0
  Y  Y2  1  0.358  0.127  0.251  1.0
  Y  Y3  1  0.127  0.770  0.756  1.0
  Y  Y4  1  0.230  0.357  0.756  1.0
  Y  Y5  1  0.643  0.873  0.756  1.0
  Mn  Mn6  1  0.000  0.000  0.479  1.0
  Si  Si7  1  0.667  0.333  0.838  1.0
  Si  Si8  1  0.333  0.667  0.345  1.0
  S  S9  1  0.667  0.333  0.468  1.0
  S  S10  1  0.333  0.667  0.975  1.0
  S  S11  1  0.909  0.159  0.717  1.0
  S  S12  1  0.841  0.750  0.717  1.0
  S  S13  1  0.250  0.091  0.717  1.0
  S  S14  1  0.089  0.839  0.233  1.0
  S  S15  1  0.161  0.250  0.233  1.0
  S  S16  1  0.750  0.911  0.233  1.0
  S  S17  1  0.586  0.108  0.987  1.0
  S  S18  1  0.892  0.479  0.987  1.0
  S  S19  1  0.521  0.414  0.987  1.0
  S  S20  1  0.414  0.893  0.493  1.0
  S  S21  1  0.107  0.521  0.493  1.0
  S  S22  1  0.479  0.586  0.493  1.0
[/CIF]
.
The crystal structure described by Y6Mn(SiS7)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(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one S(2), one S(5), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent S(3) and three equivalent S(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(5) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(6) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to three equivalent Y(1) and one Si(1) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to three equivalent Y(2) and one Si(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Mn(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), two equivalent Y(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_Y6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.878
_cell_length_b   9.878
_cell_length_c   5.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   477.976
_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  0.873  0.231  0.251  1.0
  Y  Y1  1  0.769  0.642  0.251  1.0
  Y  Y2  1  0.358  0.127  0.251  1.0
  Y  Y3  1  0.127  0.770  0.756  1.0
  Y  Y4  1  0.230  0.357  0.756  1.0
  Y  Y5  1  0.643  0.873  0.756  1.0
  Mn  Mn6  1  0.000  0.000  0.479  1.0
  Si  Si7  1  0.667  0.333  0.838  1.0
  Si  Si8  1  0.333  0.667  0.345  1.0
  S  S9  1  0.667  0.333  0.468  1.0
  S  S10  1  0.333  0.667  0.975  1.0
  S  S11  1  0.909  0.159  0.717  1.0
  S  S12  1  0.841  0.750  0.717  1.0
  S  S13  1  0.250  0.091  0.717  1.0
  S  S14  1  0.089  0.839  0.233  1.0
  S  S15  1  0.161  0.250  0.233  1.0
  S  S16  1  0.750  0.911  0.233  1.0
  S  S17  1  0.586  0.108  0.987  1.0
  S  S18  1  0.892  0.479  0.987  1.0
  S  S19  1  0.521  0.414  0.987  1.0
  S  S20  1  0.414  0.893  0.493  1.0
  S  S21  1  0.107  0.521  0.493  1.0
  S  S22  1  0.479  0.586  0.493  1.0
[/CIF]
.