The material described by YbLa(Mo3S4)4 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent S(2), two equivalent S(4), two equivalent S(5), and two equivalent S(8) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the third Mo site, Mo(3) is bonded to one S(1), one S(4), one S(5), one S(6), and one S(7) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one S(2), one S(3), one S(5), one S(6), and one S(8) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one S(3), one S(6), one S(7), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one S(4), one S(5), one S(8), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Yb(1), one Mo(2), one Mo(3), and two equivalent Mo(5) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one La(1), one Mo(1), one Mo(4), and two equivalent Mo(6) atoms. In the third S site, S(3) is bonded to one Yb(1), one Mo(1), one Mo(2), one Mo(4), and one Mo(5) atom to form distorted SYbMo4 trigonal bipyramids that share  a cornercorner with one S(3)YbMo4 trigonal bipyramid,  a cornercorner with one S(6)YbMo4 trigonal bipyramid,  an edgeedge with one S(4)LaMo4 trigonal bipyramid, and edges with two equivalent S(6)YbMo4 trigonal bipyramids. In the fourth S site, S(4) is bonded to one La(1), one Mo(1), one Mo(2), one Mo(3), and one Mo(6) atom to form distorted SLaMo4 trigonal bipyramids that share  a cornercorner with one S(4)LaMo4 trigonal bipyramid, corners with two equivalent S(6)YbMo4 trigonal bipyramids, and  an edgeedge with one S(3)YbMo4 trigonal bipyramid. In the fifth S site, S(5) is bonded in a distorted pentagonal planar geometry to one La(1), one Mo(1), one Mo(3), one Mo(4), and one Mo(6) atom. In the sixth S site, S(6) is bonded to one Yb(1), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom to form distorted SYbMo4 trigonal bipyramids that share  a cornercorner with one S(3)YbMo4 trigonal bipyramid,  a cornercorner with one S(6)YbMo4 trigonal bipyramid, corners with two equivalent S(4)LaMo4 trigonal bipyramids, and edges with two equivalent S(3)YbMo4 trigonal bipyramids. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(1), one Mo(3), and one Mo(5) atom. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one La(1), one Mo(2), one Mo(4), and one Mo(6) atom. is represented by the CIF file [CIF]
data_LaYb(Mo3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.537
_cell_length_c   13.163
_cell_angle_alpha   89.220
_cell_angle_beta   88.888
_cell_angle_gamma   88.946
_symmetry_Int_Tables_number   1
_cell_volume   561.494
_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  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.226  0.419  0.780  1.0
  Mo  Mo3  1  0.227  0.420  0.281  1.0
  Mo  Mo4  1  0.560  0.228  0.710  1.0
  Mo  Mo5  1  0.563  0.229  0.211  1.0
  Mo  Mo6  1  0.418  0.561  0.611  1.0
  Mo  Mo7  1  0.418  0.563  0.112  1.0
  Mo  Mo8  1  0.773  0.580  0.719  1.0
  Mo  Mo9  1  0.774  0.581  0.220  1.0
  Mo  Mo10  1  0.437  0.771  0.789  1.0
  Mo  Mo11  1  0.440  0.772  0.290  1.0
  Mo  Mo12  1  0.582  0.437  0.888  1.0
  Mo  Mo13  1  0.582  0.439  0.389  1.0
  S  S14  1  0.745  0.375  0.563  1.0
  S  S15  1  0.747  0.377  0.063  1.0
  S  S16  1  0.127  0.747  0.687  1.0
  S  S17  1  0.127  0.749  0.188  1.0
  S  S18  1  0.376  0.128  0.875  1.0
  S  S19  1  0.376  0.128  0.374  1.0
  S  S20  1  0.253  0.623  0.937  1.0
  S  S21  1  0.255  0.625  0.437  1.0
  S  S22  1  0.873  0.251  0.812  1.0
  S  S23  1  0.873  0.253  0.313  1.0
  S  S24  1  0.624  0.872  0.626  1.0
  S  S25  1  0.624  0.872  0.125  1.0
  S  S26  1  0.240  0.243  0.620  1.0
  S  S27  1  0.243  0.246  0.122  1.0
  S  S28  1  0.757  0.754  0.878  1.0
  S  S29  1  0.760  0.757  0.380  1.0
[/CIF]
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The material described by YbLa(Mo3S4)4 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a body-centered cubic geometry to two equivalent S(1), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent S(2), two equivalent S(4), two equivalent S(5), and two equivalent S(8) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the second Mo site, Mo(2) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the third Mo site, Mo(3) is bonded to one S(1), one S(4), one S(5), one S(6), and one S(7) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one S(2), one S(3), one S(5), one S(6), and one S(8) atom to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one S(3), one S(6), one S(7), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one S(4), one S(5), one S(8), and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Yb(1), one Mo(2), one Mo(3), and two equivalent Mo(5) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one La(1), one Mo(1), one Mo(4), and two equivalent Mo(6) atoms. In the third S site, S(3) is bonded to one Yb(1), one Mo(1), one Mo(2), one Mo(4), and one Mo(5) atom to form distorted SYbMo4 trigonal bipyramids that share  a cornercorner with one S(3)YbMo4 trigonal bipyramid,  a cornercorner with one S(6)YbMo4 trigonal bipyramid,  an edgeedge with one S(4)LaMo4 trigonal bipyramid, and edges with two equivalent S(6)YbMo4 trigonal bipyramids. In the fourth S site, S(4) is bonded to one La(1), one Mo(1), one Mo(2), one Mo(3), and one Mo(6) atom to form distorted SLaMo4 trigonal bipyramids that share  a cornercorner with one S(4)LaMo4 trigonal bipyramid, corners with two equivalent S(6)YbMo4 trigonal bipyramids, and  an edgeedge with one S(3)YbMo4 trigonal bipyramid. In the fifth S site, S(5) is bonded in a distorted pentagonal planar geometry to one La(1), one Mo(1), one Mo(3), one Mo(4), and one Mo(6) atom. In the sixth S site, S(6) is bonded to one Yb(1), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom to form distorted SYbMo4 trigonal bipyramids that share  a cornercorner with one S(3)YbMo4 trigonal bipyramid,  a cornercorner with one S(6)YbMo4 trigonal bipyramid, corners with two equivalent S(4)LaMo4 trigonal bipyramids, and edges with two equivalent S(3)YbMo4 trigonal bipyramids. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(1), one Mo(3), and one Mo(5) atom. In the eighth S site, S(8) is bonded in a 4-coordinate geometry to one La(1), one Mo(2), one Mo(4), and one Mo(6) atom. is represented by the CIF file [CIF]
data_LaYb(Mo3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.537
_cell_length_c   13.163
_cell_angle_alpha   89.220
_cell_angle_beta   88.888
_cell_angle_gamma   88.946
_symmetry_Int_Tables_number   1
_cell_volume   561.494
_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  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.226  0.419  0.780  1.0
  Mo  Mo3  1  0.227  0.420  0.281  1.0
  Mo  Mo4  1  0.560  0.228  0.710  1.0
  Mo  Mo5  1  0.563  0.229  0.211  1.0
  Mo  Mo6  1  0.418  0.561  0.611  1.0
  Mo  Mo7  1  0.418  0.563  0.112  1.0
  Mo  Mo8  1  0.773  0.580  0.719  1.0
  Mo  Mo9  1  0.774  0.581  0.220  1.0
  Mo  Mo10  1  0.437  0.771  0.789  1.0
  Mo  Mo11  1  0.440  0.772  0.290  1.0
  Mo  Mo12  1  0.582  0.437  0.888  1.0
  Mo  Mo13  1  0.582  0.439  0.389  1.0
  S  S14  1  0.745  0.375  0.563  1.0
  S  S15  1  0.747  0.377  0.063  1.0
  S  S16  1  0.127  0.747  0.687  1.0
  S  S17  1  0.127  0.749  0.188  1.0
  S  S18  1  0.376  0.128  0.875  1.0
  S  S19  1  0.376  0.128  0.374  1.0
  S  S20  1  0.253  0.623  0.937  1.0
  S  S21  1  0.255  0.625  0.437  1.0
  S  S22  1  0.873  0.251  0.812  1.0
  S  S23  1  0.873  0.253  0.313  1.0
  S  S24  1  0.624  0.872  0.626  1.0
  S  S25  1  0.624  0.872  0.125  1.0
  S  S26  1  0.240  0.243  0.620  1.0
  S  S27  1  0.243  0.246  0.122  1.0
  S  S28  1  0.757  0.754  0.878  1.0
  S  S29  1  0.760  0.757  0.380  1.0
[/CIF]
.