The material structure described by YbTb10Se16 crystallizes in the tetragonal P-4 space group. Yb(1) is bonded in a 8-coordinate geometry to four equivalent Se(3) and four equivalent Se(4) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), three equivalent Se(1), and three equivalent Se(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), three equivalent Se(2), and three equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted SeTb5 trigonal bipyramids that share corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids,  a cornercorner with one Se(1)Tb5 trigonal bipyramid,  an edgeedge with one Se(3)Tb5Yb octahedra, edges with two equivalent Se(4)Tb5Yb octahedra, edges with two equivalent Se(2)Tb5 square pyramids, edges with three equivalent Se(1)Tb5 trigonal bipyramids, and faces with two equivalent Se(3)Tb5Yb octahedra. The corner-sharing octahedral tilt angles range from 21-50°. In the second Se site, Se(2) is bonded to one Tb(1), one Tb(2), and three equivalent Tb(3) atoms to form distorted SeTb5 square pyramids that share corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(4)Tb5Yb octahedra, edges with two equivalent Se(3)Tb5Yb octahedra, edges with two equivalent Se(1)Tb5 trigonal bipyramids, faces with two equivalent Se(4)Tb5Yb octahedra, and  a faceface with one Se(2)Tb5 square pyramid. The corner-sharing octahedral tilt angles range from 16-53°. In the third Se site, Se(3) is bonded to one Yb(1), one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted SeTb5Yb octahedra that share corners with three equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(4)Tb5Yb octahedra, edges with two equivalent Se(3)Tb5Yb octahedra, edges with two equivalent Se(2)Tb5 square pyramids,  an edgeedge with one Se(1)Tb5 trigonal bipyramid,  a faceface with one Se(3)Tb5Yb octahedra, faces with two equivalent Se(4)Tb5Yb octahedra, and faces with two equivalent Se(1)Tb5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-48°. In the fourth Se site, Se(4) is bonded to one Yb(1), one Tb(1), one Tb(2), and three equivalent Tb(3) atoms to form distorted SeTb5Yb octahedra that share corners with three equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(3)Tb5Yb octahedra, edges with two equivalent Se(4)Tb5Yb octahedra,  an edgeedge with one Se(2)Tb5 square pyramid, edges with two equivalent Se(1)Tb5 trigonal bipyramids,  a faceface with one Se(4)Tb5Yb octahedra, faces with two equivalent Se(3)Tb5Yb octahedra, and faces with two equivalent Se(2)Tb5 square pyramids. The corner-sharing octahedral tilt angles range from 21-48°. is represented by the CIF file [CIF]
data_Tb10YbSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.714
_cell_length_b   8.714
_cell_length_c   8.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.585
_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
  Tb  Tb0  1  0.250  0.625  0.364  1.0
  Tb  Tb1  1  0.000  0.500  0.748  1.0
  Tb  Tb2  1  0.375  0.250  0.636  1.0
  Tb  Tb3  1  0.750  0.375  0.364  1.0
  Tb  Tb4  1  0.134  0.260  0.120  1.0
  Tb  Tb5  1  0.740  0.134  0.880  1.0
  Tb  Tb6  1  0.500  0.000  0.252  1.0
  Tb  Tb7  1  0.866  0.740  0.120  1.0
  Tb  Tb8  1  0.260  0.866  0.880  1.0
  Tb  Tb9  1  0.625  0.750  0.636  1.0
  Yb  Yb10  1  0.000  0.000  0.500  1.0
  Se  Se11  1  0.571  0.686  0.318  1.0
  Se  Se12  1  0.177  0.576  0.048  1.0
  Se  Se13  1  0.931  0.680  0.441  1.0
  Se  Se14  1  0.069  0.320  0.441  1.0
  Se  Se15  1  0.429  0.314  0.318  1.0
  Se  Se16  1  0.314  0.571  0.682  1.0
  Se  Se17  1  0.823  0.424  0.048  1.0
  Se  Se18  1  0.067  0.181  0.807  1.0
  Se  Se19  1  0.686  0.429  0.682  1.0
  Se  Se20  1  0.680  0.069  0.559  1.0
  Se  Se21  1  0.424  0.177  0.952  1.0
  Se  Se22  1  0.576  0.823  0.952  1.0
  Se  Se23  1  0.933  0.819  0.807  1.0
  Se  Se24  1  0.819  0.067  0.193  1.0
  Se  Se25  1  0.320  0.931  0.559  1.0
  Se  Se26  1  0.181  0.933  0.193  1.0
[/CIF]
.
The material structure described by YbTb10Se16 crystallizes in the tetragonal P-4 space group. Yb(1) is bonded in a 8-coordinate geometry to four equivalent Se(3) and four equivalent Se(4) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), three equivalent Se(1), and three equivalent Se(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), three equivalent Se(2), and three equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted SeTb5 trigonal bipyramids that share corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids,  a cornercorner with one Se(1)Tb5 trigonal bipyramid,  an edgeedge with one Se(3)Tb5Yb octahedra, edges with two equivalent Se(4)Tb5Yb octahedra, edges with two equivalent Se(2)Tb5 square pyramids, edges with three equivalent Se(1)Tb5 trigonal bipyramids, and faces with two equivalent Se(3)Tb5Yb octahedra. The corner-sharing octahedral tilt angles range from 21-50°. In the second Se site, Se(2) is bonded to one Tb(1), one Tb(2), and three equivalent Tb(3) atoms to form distorted SeTb5 square pyramids that share corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(4)Tb5Yb octahedra, edges with two equivalent Se(3)Tb5Yb octahedra, edges with two equivalent Se(1)Tb5 trigonal bipyramids, faces with two equivalent Se(4)Tb5Yb octahedra, and  a faceface with one Se(2)Tb5 square pyramid. The corner-sharing octahedral tilt angles range from 16-53°. In the third Se site, Se(3) is bonded to one Yb(1), one Tb(2), one Tb(3), and three equivalent Tb(1) atoms to form distorted SeTb5Yb octahedra that share corners with three equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(4)Tb5Yb octahedra, edges with two equivalent Se(3)Tb5Yb octahedra, edges with two equivalent Se(2)Tb5 square pyramids,  an edgeedge with one Se(1)Tb5 trigonal bipyramid,  a faceface with one Se(3)Tb5Yb octahedra, faces with two equivalent Se(4)Tb5Yb octahedra, and faces with two equivalent Se(1)Tb5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-48°. In the fourth Se site, Se(4) is bonded to one Yb(1), one Tb(1), one Tb(2), and three equivalent Tb(3) atoms to form distorted SeTb5Yb octahedra that share corners with three equivalent Se(4)Tb5Yb octahedra, corners with four equivalent Se(3)Tb5Yb octahedra, corners with four equivalent Se(2)Tb5 square pyramids, corners with four equivalent Se(1)Tb5 trigonal bipyramids,  an edgeedge with one Se(3)Tb5Yb octahedra, edges with two equivalent Se(4)Tb5Yb octahedra,  an edgeedge with one Se(2)Tb5 square pyramid, edges with two equivalent Se(1)Tb5 trigonal bipyramids,  a faceface with one Se(4)Tb5Yb octahedra, faces with two equivalent Se(3)Tb5Yb octahedra, and faces with two equivalent Se(2)Tb5 square pyramids. The corner-sharing octahedral tilt angles range from 21-48°. is represented by the CIF file [CIF]
data_Tb10YbSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.714
_cell_length_b   8.714
_cell_length_c   8.700
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   660.585
_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
  Tb  Tb0  1  0.250  0.625  0.364  1.0
  Tb  Tb1  1  0.000  0.500  0.748  1.0
  Tb  Tb2  1  0.375  0.250  0.636  1.0
  Tb  Tb3  1  0.750  0.375  0.364  1.0
  Tb  Tb4  1  0.134  0.260  0.120  1.0
  Tb  Tb5  1  0.740  0.134  0.880  1.0
  Tb  Tb6  1  0.500  0.000  0.252  1.0
  Tb  Tb7  1  0.866  0.740  0.120  1.0
  Tb  Tb8  1  0.260  0.866  0.880  1.0
  Tb  Tb9  1  0.625  0.750  0.636  1.0
  Yb  Yb10  1  0.000  0.000  0.500  1.0
  Se  Se11  1  0.571  0.686  0.318  1.0
  Se  Se12  1  0.177  0.576  0.048  1.0
  Se  Se13  1  0.931  0.680  0.441  1.0
  Se  Se14  1  0.069  0.320  0.441  1.0
  Se  Se15  1  0.429  0.314  0.318  1.0
  Se  Se16  1  0.314  0.571  0.682  1.0
  Se  Se17  1  0.823  0.424  0.048  1.0
  Se  Se18  1  0.067  0.181  0.807  1.0
  Se  Se19  1  0.686  0.429  0.682  1.0
  Se  Se20  1  0.680  0.069  0.559  1.0
  Se  Se21  1  0.424  0.177  0.952  1.0
  Se  Se22  1  0.576  0.823  0.952  1.0
  Se  Se23  1  0.933  0.819  0.807  1.0
  Se  Se24  1  0.819  0.067  0.193  1.0
  Se  Se25  1  0.320  0.931  0.559  1.0
  Se  Se26  1  0.181  0.933  0.193  1.0
[/CIF]
.