The crystal structure described by La6Mn(SiS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 to three equivalent La(1) and one Si(1) atom to form distorted corner-sharing SLa3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent La(2) and one Si(2) atom to form distorted corner-sharing SLa3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted SLa4Mn trigonal bipyramids that share corners with two equivalent S(1)La3Si tetrahedra, corners with two equivalent S(2)La3Si tetrahedra,  a cornercorner with one S(4)La4Mn trigonal bipyramid, corners with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(4)La4Mn trigonal bipyramids, and faces with two equivalent S(4)La4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted SLa4Mn trigonal bipyramids that share corners with two equivalent S(1)La3Si tetrahedra, corners with two equivalent S(2)La3Si tetrahedra,  a cornercorner with one S(3)La4Mn trigonal bipyramid, corners with two equivalent S(4)La4Mn trigonal bipyramids, edges with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(4)La4Mn trigonal bipyramids, and faces with two equivalent S(3)La4Mn trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one La(2), two equivalent La(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 La(1), two equivalent La(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_La6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.393
_cell_length_b   10.393
_cell_length_c   5.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   540.696
_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
  La  La0  1  0.901  0.690  0.251  1.0
  La  La1  1  0.310  0.211  0.251  1.0
  La  La2  1  0.789  0.099  0.251  1.0
  La  La3  1  0.433  0.977  0.752  1.0
  La  La4  1  0.023  0.456  0.752  1.0
  La  La5  1  0.544  0.567  0.752  1.0
  Mn  Mn6  1  0.667  0.333  0.488  1.0
  Si  Si7  1  0.000  0.000  0.836  1.0
  Si  Si8  1  0.333  0.667  0.337  1.0
  S  S9  1  0.000  0.000  0.471  1.0
  S  S10  1  0.333  0.667  0.972  1.0
  S  S11  1  0.826  0.576  0.729  1.0
  S  S12  1  0.424  0.251  0.729  1.0
  S  S13  1  0.749  0.174  0.729  1.0
  S  S14  1  0.506  0.092  0.251  1.0
  S  S15  1  0.908  0.414  0.251  1.0
  S  S16  1  0.586  0.494  0.251  1.0
  S  S17  1  0.783  0.857  0.977  1.0
  S  S18  1  0.143  0.925  0.977  1.0
  S  S19  1  0.075  0.217  0.977  1.0
  S  S20  1  0.551  0.809  0.478  1.0
  S  S21  1  0.191  0.742  0.478  1.0
  S  S22  1  0.258  0.449  0.478  1.0
[/CIF]
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The crystal structure described by La6Mn(SiS7)2 crystallizes in the trigonal P3 space group. There are two inequivalent La sites. In the first La site, La(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 La site, La(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 to three equivalent La(1) and one Si(1) atom to form distorted corner-sharing SLa3Si tetrahedra. In the second S site, S(2) is bonded to three equivalent La(2) and one Si(2) atom to form distorted corner-sharing SLa3Si tetrahedra. In the third S site, S(3) is bonded to two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted SLa4Mn trigonal bipyramids that share corners with two equivalent S(1)La3Si tetrahedra, corners with two equivalent S(2)La3Si tetrahedra,  a cornercorner with one S(4)La4Mn trigonal bipyramid, corners with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(4)La4Mn trigonal bipyramids, and faces with two equivalent S(4)La4Mn trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted SLa4Mn trigonal bipyramids that share corners with two equivalent S(1)La3Si tetrahedra, corners with two equivalent S(2)La3Si tetrahedra,  a cornercorner with one S(3)La4Mn trigonal bipyramid, corners with two equivalent S(4)La4Mn trigonal bipyramids, edges with two equivalent S(3)La4Mn trigonal bipyramids, edges with two equivalent S(4)La4Mn trigonal bipyramids, and faces with two equivalent S(3)La4Mn trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one La(2), two equivalent La(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 La(1), two equivalent La(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_La6Mn(SiS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.393
_cell_length_b   10.393
_cell_length_c   5.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   540.696
_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
  La  La0  1  0.901  0.690  0.251  1.0
  La  La1  1  0.310  0.211  0.251  1.0
  La  La2  1  0.789  0.099  0.251  1.0
  La  La3  1  0.433  0.977  0.752  1.0
  La  La4  1  0.023  0.456  0.752  1.0
  La  La5  1  0.544  0.567  0.752  1.0
  Mn  Mn6  1  0.667  0.333  0.488  1.0
  Si  Si7  1  0.000  0.000  0.836  1.0
  Si  Si8  1  0.333  0.667  0.337  1.0
  S  S9  1  0.000  0.000  0.471  1.0
  S  S10  1  0.333  0.667  0.972  1.0
  S  S11  1  0.826  0.576  0.729  1.0
  S  S12  1  0.424  0.251  0.729  1.0
  S  S13  1  0.749  0.174  0.729  1.0
  S  S14  1  0.506  0.092  0.251  1.0
  S  S15  1  0.908  0.414  0.251  1.0
  S  S16  1  0.586  0.494  0.251  1.0
  S  S17  1  0.783  0.857  0.977  1.0
  S  S18  1  0.143  0.925  0.977  1.0
  S  S19  1  0.075  0.217  0.977  1.0
  S  S20  1  0.551  0.809  0.478  1.0
  S  S21  1  0.191  0.742  0.478  1.0
  S  S22  1  0.258  0.449  0.478  1.0
[/CIF]
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