The crystal structure described by BaSbTe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Te(3), one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(6), and three equivalent Te(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(2), one Te(5), one Te(6), and two equivalent Te(3) atoms to form distorted corner-sharing SbTe5 square pyramids. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Te(1), one Te(3), and two equivalent Te(5) atoms. There are six inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ba(1), one Ba(2), one Sb(1), and two equivalent Sb(2) atoms to form distorted TeBa2Sb3 trigonal bipyramids that share  a cornercorner with one Te(6)Ba4Sb trigonal bipyramid, corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with two equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the second Te site, Te(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form distorted TeBa4Sb trigonal bipyramids that share  a cornercorner with one Te(5)Ba2Sb3 trigonal bipyramid, corners with four equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the third Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(2) atom to form distorted TeBa4Sb trigonal bipyramids that share corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with four equivalent Te(6)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the fourth Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sb(1), and one Te(4) atom. In the fifth Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sb(2), and two equivalent Sb(1) atoms. In the sixth Te site, Te(4) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), one Te(2), and two equivalent Te(4) atoms. is represented by the CIF card [CIF]
data_BaSbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.689
_cell_length_b   17.311
_cell_length_c   18.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1480.081
_cell_formula_units_Z   8
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
  Ba  Ba0  1  0.263  0.540  0.668  1.0
  Ba  Ba1  1  0.763  0.960  0.332  1.0
  Ba  Ba2  1  0.737  0.040  0.832  1.0
  Ba  Ba3  1  0.237  0.460  0.168  1.0
  Ba  Ba4  1  0.267  0.396  0.905  1.0
  Ba  Ba5  1  0.767  0.104  0.095  1.0
  Ba  Ba6  1  0.733  0.896  0.595  1.0
  Ba  Ba7  1  0.233  0.604  0.405  1.0
  Sb  Sb8  1  0.785  0.284  0.698  1.0
  Sb  Sb9  1  0.285  0.216  0.302  1.0
  Sb  Sb10  1  0.215  0.784  0.802  1.0
  Sb  Sb11  1  0.715  0.716  0.198  1.0
  Sb  Sb12  1  0.713  0.629  0.972  1.0
  Sb  Sb13  1  0.213  0.871  0.028  1.0
  Sb  Sb14  1  0.287  0.129  0.528  1.0
  Sb  Sb15  1  0.787  0.371  0.472  1.0
  Te  Te16  1  0.751  0.474  0.026  1.0
  Te  Te17  1  0.251  0.026  0.974  1.0
  Te  Te18  1  0.249  0.974  0.474  1.0
  Te  Te19  1  0.749  0.526  0.526  1.0
  Te  Te20  1  0.674  0.288  0.193  1.0
  Te  Te21  1  0.174  0.212  0.807  1.0
  Te  Te22  1  0.326  0.788  0.307  1.0
  Te  Te23  1  0.826  0.712  0.693  1.0
  Te  Te24  1  0.286  0.678  0.092  1.0
  Te  Te25  1  0.786  0.822  0.908  1.0
  Te  Te26  1  0.714  0.178  0.408  1.0
  Te  Te27  1  0.214  0.322  0.592  1.0
  Te  Te28  1  0.204  0.737  0.561  1.0
  Te  Te29  1  0.704  0.763  0.439  1.0
  Te  Te30  1  0.796  0.237  0.939  1.0
  Te  Te31  1  0.296  0.263  0.061  1.0
  Te  Te32  1  0.236  0.397  0.370  1.0
  Te  Te33  1  0.736  0.103  0.630  1.0
  Te  Te34  1  0.764  0.897  0.130  1.0
  Te  Te35  1  0.264  0.603  0.870  1.0
  Te  Te36  1  0.734  0.567  0.268  1.0
  Te  Te37  1  0.234  0.933  0.732  1.0
  Te  Te38  1  0.266  0.067  0.232  1.0
  Te  Te39  1  0.766  0.433  0.768  1.0
[/CIF]
.
The crystal structure described by BaSbTe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Te(3), one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Te(2), one Te(5), two equivalent Te(1), two equivalent Te(6), and three equivalent Te(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Te(2), one Te(5), one Te(6), and two equivalent Te(3) atoms to form distorted corner-sharing SbTe5 square pyramids. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Te(1), one Te(3), and two equivalent Te(5) atoms. There are six inequivalent Te sites. In the first Te site, Te(5) is bonded to one Ba(1), one Ba(2), one Sb(1), and two equivalent Sb(2) atoms to form distorted TeBa2Sb3 trigonal bipyramids that share  a cornercorner with one Te(6)Ba4Sb trigonal bipyramid, corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with two equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the second Te site, Te(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(1) atom to form distorted TeBa4Sb trigonal bipyramids that share  a cornercorner with one Te(5)Ba2Sb3 trigonal bipyramid, corners with four equivalent Te(1)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the third Te site, Te(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Sb(2) atom to form distorted TeBa4Sb trigonal bipyramids that share corners with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, corners with four equivalent Te(6)Ba4Sb trigonal bipyramids, edges with two equivalent Te(5)Ba2Sb3 trigonal bipyramids, edges with two equivalent Te(1)Ba4Sb trigonal bipyramids, and edges with two equivalent Te(6)Ba4Sb trigonal bipyramids. In the fourth Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Sb(1), and one Te(4) atom. In the fifth Te site, Te(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sb(2), and two equivalent Sb(1) atoms. In the sixth Te site, Te(4) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), one Te(2), and two equivalent Te(4) atoms. is represented by the CIF card [CIF]
data_BaSbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.689
_cell_length_b   17.311
_cell_length_c   18.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1480.081
_cell_formula_units_Z   8
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
  Ba  Ba0  1  0.263  0.540  0.668  1.0
  Ba  Ba1  1  0.763  0.960  0.332  1.0
  Ba  Ba2  1  0.737  0.040  0.832  1.0
  Ba  Ba3  1  0.237  0.460  0.168  1.0
  Ba  Ba4  1  0.267  0.396  0.905  1.0
  Ba  Ba5  1  0.767  0.104  0.095  1.0
  Ba  Ba6  1  0.733  0.896  0.595  1.0
  Ba  Ba7  1  0.233  0.604  0.405  1.0
  Sb  Sb8  1  0.785  0.284  0.698  1.0
  Sb  Sb9  1  0.285  0.216  0.302  1.0
  Sb  Sb10  1  0.215  0.784  0.802  1.0
  Sb  Sb11  1  0.715  0.716  0.198  1.0
  Sb  Sb12  1  0.713  0.629  0.972  1.0
  Sb  Sb13  1  0.213  0.871  0.028  1.0
  Sb  Sb14  1  0.287  0.129  0.528  1.0
  Sb  Sb15  1  0.787  0.371  0.472  1.0
  Te  Te16  1  0.751  0.474  0.026  1.0
  Te  Te17  1  0.251  0.026  0.974  1.0
  Te  Te18  1  0.249  0.974  0.474  1.0
  Te  Te19  1  0.749  0.526  0.526  1.0
  Te  Te20  1  0.674  0.288  0.193  1.0
  Te  Te21  1  0.174  0.212  0.807  1.0
  Te  Te22  1  0.326  0.788  0.307  1.0
  Te  Te23  1  0.826  0.712  0.693  1.0
  Te  Te24  1  0.286  0.678  0.092  1.0
  Te  Te25  1  0.786  0.822  0.908  1.0
  Te  Te26  1  0.714  0.178  0.408  1.0
  Te  Te27  1  0.214  0.322  0.592  1.0
  Te  Te28  1  0.204  0.737  0.561  1.0
  Te  Te29  1  0.704  0.763  0.439  1.0
  Te  Te30  1  0.796  0.237  0.939  1.0
  Te  Te31  1  0.296  0.263  0.061  1.0
  Te  Te32  1  0.236  0.397  0.370  1.0
  Te  Te33  1  0.736  0.103  0.630  1.0
  Te  Te34  1  0.764  0.897  0.130  1.0
  Te  Te35  1  0.264  0.603  0.870  1.0
  Te  Te36  1  0.734  0.567  0.268  1.0
  Te  Te37  1  0.234  0.933  0.732  1.0
  Te  Te38  1  0.266  0.067  0.232  1.0
  Te  Te39  1  0.766  0.433  0.768  1.0
[/CIF]
.