The material described by YbLa(Mo3Se4)4 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a body-centered cubic geometry to two equivalent Se(1), two equivalent Se(3), two equivalent Se(5), and two equivalent Se(8) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent Se(2), two equivalent Se(4), two equivalent Se(6), and two equivalent Se(7) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(1), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the second Mo site, Mo(2) is bonded to one Se(2), one Se(3), one Se(5), one Se(6), and one Se(8) atom to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), and one Se(8) atom. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(7), and one Se(8) atom. In the fifth Mo site, Mo(5) is bonded to one Se(1), one Se(5), one Se(8), and two equivalent Se(3) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Se(2), one Se(6), one Se(7), and two equivalent Se(4) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(1), one Mo(3), and one Mo(5) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one La(1), one Mo(2), one Mo(4), and one Mo(6) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Yb(1), one Mo(2), one Mo(3), and two equivalent Mo(5) atoms. In the fourth Se site, Se(4) is bonded to one La(1), one Mo(1), one Mo(4), and two equivalent Mo(6) atoms to form distorted SeLaMo4 trigonal bipyramids that share  a cornercorner with one Se(4)LaMo4 trigonal bipyramid, corners with three equivalent Se(6)LaMo4 trigonal bipyramids,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid,  an edgeedge with one Se(6)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(5)YbMo4 trigonal bipyramid. In the fifth Se site, Se(5) is bonded to one Yb(1), one Mo(1), one Mo(2), one Mo(4), and one Mo(5) atom to form distorted SeYbMo4 trigonal bipyramids that share  a cornercorner with one Se(5)YbMo4 trigonal bipyramid,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(6)LaMo4 trigonal bipyramid. In the sixth Se site, Se(6) is bonded to one La(1), one Mo(1), one Mo(2), one Mo(3), and one Mo(6) atom to form distorted SeLaMo4 trigonal bipyramids that share  a cornercorner with one Se(6)LaMo4 trigonal bipyramid, corners with three equivalent Se(4)LaMo4 trigonal bipyramids,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(5)YbMo4 trigonal bipyramid. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one La(1), one Mo(1), one Mo(3), one Mo(4), and one Mo(6) atom. In the eighth Se site, Se(8) is bonded in a 5-coordinate geometry to one Yb(1), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom. is represented by the CIF file [CIF]
data_LaYb(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.799
_cell_length_b   6.828
_cell_length_c   13.723
_cell_angle_alpha   88.958
_cell_angle_beta   89.158
_cell_angle_gamma   88.791
_symmetry_Int_Tables_number   1
_cell_volume   636.727
_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  0.577  0.764  0.221  1.0
  Mo  Mo3  1  0.576  0.763  0.719  1.0
  Mo  Mo4  1  0.761  0.441  0.288  1.0
  Mo  Mo5  1  0.760  0.438  0.787  1.0
  Mo  Mo6  1  0.440  0.577  0.383  1.0
  Mo  Mo7  1  0.439  0.576  0.882  1.0
  Mo  Mo8  1  0.424  0.237  0.281  1.0
  Mo  Mo9  1  0.423  0.236  0.779  1.0
  Mo  Mo10  1  0.240  0.562  0.213  1.0
  Mo  Mo11  1  0.239  0.559  0.712  1.0
  Mo  Mo12  1  0.561  0.424  0.118  1.0
  Mo  Mo13  1  0.560  0.423  0.617  1.0
  Se  Se14  1  0.759  0.761  0.380  1.0
  Se  Se15  1  0.756  0.759  0.879  1.0
  Se  Se16  1  0.244  0.241  0.121  1.0
  Se  Se17  1  0.241  0.239  0.620  1.0
  Se  Se18  1  0.626  0.249  0.439  1.0
  Se  Se19  1  0.624  0.249  0.939  1.0
  Se  Se20  1  0.249  0.878  0.314  1.0
  Se  Se21  1  0.247  0.877  0.812  1.0
  Se  Se22  1  0.876  0.624  0.123  1.0
  Se  Se23  1  0.876  0.625  0.623  1.0
  Se  Se24  1  0.376  0.751  0.061  1.0
  Se  Se25  1  0.374  0.751  0.561  1.0
  Se  Se26  1  0.753  0.123  0.188  1.0
  Se  Se27  1  0.751  0.122  0.686  1.0
  Se  Se28  1  0.124  0.375  0.377  1.0
  Se  Se29  1  0.124  0.376  0.877  1.0
[/CIF]
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The material described by YbLa(Mo3Se4)4 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a body-centered cubic geometry to two equivalent Se(1), two equivalent Se(3), two equivalent Se(5), and two equivalent Se(8) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent Se(2), two equivalent Se(4), two equivalent Se(6), and two equivalent Se(7) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(1), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the second Mo site, Mo(2) is bonded to one Se(2), one Se(3), one Se(5), one Se(6), and one Se(8) atom to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), and one Se(8) atom. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(7), and one Se(8) atom. In the fifth Mo site, Mo(5) is bonded to one Se(1), one Se(5), one Se(8), and two equivalent Se(3) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Se(2), one Se(6), one Se(7), and two equivalent Se(4) atoms to form a mixture of distorted edge and corner-sharing MoSe5 square pyramids. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Yb(1), one Mo(1), one Mo(3), and one Mo(5) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one La(1), one Mo(2), one Mo(4), and one Mo(6) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Yb(1), one Mo(2), one Mo(3), and two equivalent Mo(5) atoms. In the fourth Se site, Se(4) is bonded to one La(1), one Mo(1), one Mo(4), and two equivalent Mo(6) atoms to form distorted SeLaMo4 trigonal bipyramids that share  a cornercorner with one Se(4)LaMo4 trigonal bipyramid, corners with three equivalent Se(6)LaMo4 trigonal bipyramids,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid,  an edgeedge with one Se(6)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(5)YbMo4 trigonal bipyramid. In the fifth Se site, Se(5) is bonded to one Yb(1), one Mo(1), one Mo(2), one Mo(4), and one Mo(5) atom to form distorted SeYbMo4 trigonal bipyramids that share  a cornercorner with one Se(5)YbMo4 trigonal bipyramid,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(6)LaMo4 trigonal bipyramid. In the sixth Se site, Se(6) is bonded to one La(1), one Mo(1), one Mo(2), one Mo(3), and one Mo(6) atom to form distorted SeLaMo4 trigonal bipyramids that share  a cornercorner with one Se(6)LaMo4 trigonal bipyramid, corners with three equivalent Se(4)LaMo4 trigonal bipyramids,  an edgeedge with one Se(4)LaMo4 trigonal bipyramid, and  an edgeedge with one Se(5)YbMo4 trigonal bipyramid. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one La(1), one Mo(1), one Mo(3), one Mo(4), and one Mo(6) atom. In the eighth Se site, Se(8) is bonded in a 5-coordinate geometry to one Yb(1), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom. is represented by the CIF file [CIF]
data_LaYb(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.799
_cell_length_b   6.828
_cell_length_c   13.723
_cell_angle_alpha   88.958
_cell_angle_beta   89.158
_cell_angle_gamma   88.791
_symmetry_Int_Tables_number   1
_cell_volume   636.727
_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  0.577  0.764  0.221  1.0
  Mo  Mo3  1  0.576  0.763  0.719  1.0
  Mo  Mo4  1  0.761  0.441  0.288  1.0
  Mo  Mo5  1  0.760  0.438  0.787  1.0
  Mo  Mo6  1  0.440  0.577  0.383  1.0
  Mo  Mo7  1  0.439  0.576  0.882  1.0
  Mo  Mo8  1  0.424  0.237  0.281  1.0
  Mo  Mo9  1  0.423  0.236  0.779  1.0
  Mo  Mo10  1  0.240  0.562  0.213  1.0
  Mo  Mo11  1  0.239  0.559  0.712  1.0
  Mo  Mo12  1  0.561  0.424  0.118  1.0
  Mo  Mo13  1  0.560  0.423  0.617  1.0
  Se  Se14  1  0.759  0.761  0.380  1.0
  Se  Se15  1  0.756  0.759  0.879  1.0
  Se  Se16  1  0.244  0.241  0.121  1.0
  Se  Se17  1  0.241  0.239  0.620  1.0
  Se  Se18  1  0.626  0.249  0.439  1.0
  Se  Se19  1  0.624  0.249  0.939  1.0
  Se  Se20  1  0.249  0.878  0.314  1.0
  Se  Se21  1  0.247  0.877  0.812  1.0
  Se  Se22  1  0.876  0.624  0.123  1.0
  Se  Se23  1  0.876  0.625  0.623  1.0
  Se  Se24  1  0.376  0.751  0.061  1.0
  Se  Se25  1  0.374  0.751  0.561  1.0
  Se  Se26  1  0.753  0.123  0.188  1.0
  Se  Se27  1  0.751  0.122  0.686  1.0
  Se  Se28  1  0.124  0.375  0.377  1.0
  Se  Se29  1  0.124  0.376  0.877  1.0
[/CIF]
.