The compound described by La6Cr(GeS7)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(3), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second La site, La(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. Cr(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 in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cr(1) atom. In the second S site, S(2) is bonded to two equivalent La(1), two equivalent La(2), and one Cr(1) atom to form distorted SLa4Cr trigonal bipyramids that share corners with two equivalent S(3)La3Ge tetrahedra, corners with two equivalent S(4)La3Ge tetrahedra, corners with two equivalent S(2)La4Cr trigonal bipyramids, and edges with two equivalent S(2)La4Cr trigonal bipyramids. In the third S site, S(3) is bonded to three equivalent La(1) and one Ge(1) atom to form corner-sharing SLa3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent La(2) and one Ge(2) atom to form corner-sharing SLa3Ge tetrahedra. 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 Ge(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 Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6Cr(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   5.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.724
_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  0.103  0.793  0.753  1.0
  La  La1  1  0.690  0.897  0.753  1.0
  La  La2  1  0.207  0.310  0.753  1.0
  La  La3  1  0.562  0.539  0.251  1.0
  La  La4  1  0.978  0.438  0.251  1.0
  La  La5  1  0.461  0.022  0.251  1.0
  Cr  Cr6  1  0.333  0.667  0.521  1.0
  Ge  Ge7  1  0.000  0.000  0.168  1.0
  Ge  Ge8  1  0.667  0.333  0.663  1.0
  S  S9  1  0.181  0.753  0.290  1.0
  S  S10  1  0.572  0.819  0.290  1.0
  S  S11  1  0.247  0.428  0.290  1.0
  S  S12  1  0.488  0.582  0.755  1.0
  S  S13  1  0.094  0.512  0.755  1.0
  S  S14  1  0.418  0.906  0.755  1.0
  S  S15  1  0.000  0.000  0.542  1.0
  S  S16  1  0.667  0.333  0.038  1.0
  S  S17  1  0.227  0.080  0.018  1.0
  S  S18  1  0.853  0.773  0.018  1.0
  S  S19  1  0.920  0.147  0.018  1.0
  S  S20  1  0.439  0.252  0.514  1.0
  S  S21  1  0.813  0.561  0.514  1.0
  S  S22  1  0.748  0.187  0.514  1.0
[/CIF]
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The compound described by La6Cr(GeS7)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(3), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second La site, La(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. Cr(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 in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cr(1) atom. In the second S site, S(2) is bonded to two equivalent La(1), two equivalent La(2), and one Cr(1) atom to form distorted SLa4Cr trigonal bipyramids that share corners with two equivalent S(3)La3Ge tetrahedra, corners with two equivalent S(4)La3Ge tetrahedra, corners with two equivalent S(2)La4Cr trigonal bipyramids, and edges with two equivalent S(2)La4Cr trigonal bipyramids. In the third S site, S(3) is bonded to three equivalent La(1) and one Ge(1) atom to form corner-sharing SLa3Ge tetrahedra. In the fourth S site, S(4) is bonded to three equivalent La(2) and one Ge(2) atom to form corner-sharing SLa3Ge tetrahedra. 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 Ge(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 Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6Cr(GeS7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   5.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.724
_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  0.103  0.793  0.753  1.0
  La  La1  1  0.690  0.897  0.753  1.0
  La  La2  1  0.207  0.310  0.753  1.0
  La  La3  1  0.562  0.539  0.251  1.0
  La  La4  1  0.978  0.438  0.251  1.0
  La  La5  1  0.461  0.022  0.251  1.0
  Cr  Cr6  1  0.333  0.667  0.521  1.0
  Ge  Ge7  1  0.000  0.000  0.168  1.0
  Ge  Ge8  1  0.667  0.333  0.663  1.0
  S  S9  1  0.181  0.753  0.290  1.0
  S  S10  1  0.572  0.819  0.290  1.0
  S  S11  1  0.247  0.428  0.290  1.0
  S  S12  1  0.488  0.582  0.755  1.0
  S  S13  1  0.094  0.512  0.755  1.0
  S  S14  1  0.418  0.906  0.755  1.0
  S  S15  1  0.000  0.000  0.542  1.0
  S  S16  1  0.667  0.333  0.038  1.0
  S  S17  1  0.227  0.080  0.018  1.0
  S  S18  1  0.853  0.773  0.018  1.0
  S  S19  1  0.920  0.147  0.018  1.0
  S  S20  1  0.439  0.252  0.514  1.0
  S  S21  1  0.813  0.561  0.514  1.0
  S  S22  1  0.748  0.187  0.514  1.0
[/CIF]
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