The material structure described by Tb4BBr6 crystallizes in the monoclinic C2/c space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent B(1), one Br(1), one Br(4), one Br(5), and one Br(6) atom to form TbB2Br4 octahedra that share  a cornercorner with one Tb(3)B2Br4 octahedra,  a cornercorner with one Tb(2)BBr5 octahedra,  an edgeedge with one Tb(1)B2Br4 octahedra, edges with two equivalent Tb(2)BBr5 octahedra, edges with two equivalent Tb(4)BBr5 octahedra, and edges with three equivalent Tb(3)B2Br4 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Tb site, Tb(2) is bonded to one B(1), one Br(1), one Br(5), one Br(6), and two equivalent Br(3) atoms to form TbBBr5 octahedra that share  a cornercorner with one Tb(1)B2Br4 octahedra,  a cornercorner with one Tb(3)B2Br4 octahedra,  a cornercorner with one Tb(4)BBr5 octahedra,  an edgeedge with one Tb(2)BBr5 octahedra,  an edgeedge with one Tb(4)BBr5 octahedra, edges with two equivalent Tb(1)B2Br4 octahedra, and edges with two equivalent Tb(3)B2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Tb site, Tb(3) is bonded to two equivalent B(1), one Br(2), one Br(6), and two equivalent Br(5) atoms to form TbB2Br4 octahedra that share  a cornercorner with one Tb(1)B2Br4 octahedra,  a cornercorner with one Tb(2)BBr5 octahedra, corners with two equivalent Tb(4)BBr5 octahedra,  an edgeedge with one Tb(4)BBr5 octahedra, edges with two equivalent Tb(3)B2Br4 octahedra, edges with two equivalent Tb(2)BBr5 octahedra, and edges with three equivalent Tb(1)B2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Tb site, Tb(4) is bonded to one B(1), one Br(3), two equivalent Br(2), and two equivalent Br(4) atoms to form TbBBr5 octahedra that share  a cornercorner with one Tb(2)BBr5 octahedra, corners with two equivalent Tb(3)B2Br4 octahedra,  an edgeedge with one Tb(3)B2Br4 octahedra,  an edgeedge with one Tb(2)BBr5 octahedra, edges with two equivalent Tb(1)B2Br4 octahedra, and edges with two equivalent Tb(4)BBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. B(1) is bonded to one Tb(2), one Tb(4), two equivalent Tb(1), and two equivalent Tb(3) atoms to form edge-sharing BTb6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Tb(1) and one Tb(2) atom. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(4) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(4) and two equivalent Tb(2) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(4) atoms. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the sixth Br site, Br(6) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(3) atom. is represented by the CIF card [CIF]
data_Tb4BBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.663
_cell_length_b   10.663
_cell_length_c   12.621
_cell_angle_alpha   84.328
_cell_angle_beta   84.327
_cell_angle_gamma   63.666
_symmetry_Int_Tables_number   1
_cell_volume   1277.234
_cell_formula_units_Z   4
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  0.713  0.471  0.192  1.0
  Tb  Tb1  1  0.529  0.287  0.308  1.0
  Tb  Tb2  1  0.287  0.529  0.808  1.0
  Tb  Tb3  1  0.471  0.713  0.692  1.0
  Tb  Tb4  1  0.785  0.545  0.454  1.0
  Tb  Tb5  1  0.455  0.215  0.046  1.0
  Tb  Tb6  1  0.215  0.455  0.546  1.0
  Tb  Tb7  1  0.545  0.785  0.954  1.0
  Tb  Tb8  1  0.581  0.358  0.589  1.0
  Tb  Tb9  1  0.642  0.419  0.911  1.0
  Tb  Tb10  1  0.419  0.642  0.411  1.0
  Tb  Tb11  1  0.358  0.581  0.089  1.0
  Tb  Tb12  1  0.115  0.813  0.605  1.0
  Tb  Tb13  1  0.187  0.885  0.895  1.0
  Tb  Tb14  1  0.885  0.187  0.395  1.0
  Tb  Tb15  1  0.813  0.115  0.105  1.0
  B  B16  1  0.662  0.412  0.395  1.0
  B  B17  1  0.588  0.338  0.105  1.0
  B  B18  1  0.338  0.588  0.605  1.0
  B  B19  1  0.412  0.662  0.895  1.0
  Br  Br20  1  0.141  0.376  0.748  1.0
  Br  Br21  1  0.624  0.859  0.752  1.0
  Br  Br22  1  0.859  0.624  0.252  1.0
  Br  Br23  1  0.376  0.141  0.248  1.0
  Br  Br24  1  0.158  0.914  0.395  1.0
  Br  Br25  1  0.086  0.841  0.105  1.0
  Br  Br26  1  0.842  0.086  0.605  1.0
  Br  Br27  1  0.914  0.158  0.895  1.0
  Br  Br28  1  0.055  0.307  0.466  1.0
  Br  Br29  1  0.693  0.945  0.034  1.0
  Br  Br30  1  0.946  0.693  0.534  1.0
  Br  Br31  1  0.307  0.055  0.966  1.0
  Br  Br32  1  0.987  0.225  0.180  1.0
  Br  Br33  1  0.775  0.013  0.320  1.0
  Br  Br34  1  0.013  0.775  0.820  1.0
  Br  Br35  1  0.225  0.987  0.680  1.0
  Br  Br36  1  0.470  0.749  0.184  1.0
  Br  Br37  1  0.251  0.530  0.316  1.0
  Br  Br38  1  0.530  0.251  0.816  1.0
  Br  Br39  1  0.749  0.470  0.684  1.0
  Br  Br40  1  0.809  0.547  0.974  1.0
  Br  Br41  1  0.453  0.191  0.526  1.0
  Br  Br42  1  0.191  0.453  0.026  1.0
  Br  Br43  1  0.547  0.809  0.474  1.0
[/CIF]
.
The material structure described by Tb4BBr6 crystallizes in the monoclinic C2/c space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent B(1), one Br(1), one Br(4), one Br(5), and one Br(6) atom to form TbB2Br4 octahedra that share  a cornercorner with one Tb(3)B2Br4 octahedra,  a cornercorner with one Tb(2)BBr5 octahedra,  an edgeedge with one Tb(1)B2Br4 octahedra, edges with two equivalent Tb(2)BBr5 octahedra, edges with two equivalent Tb(4)BBr5 octahedra, and edges with three equivalent Tb(3)B2Br4 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Tb site, Tb(2) is bonded to one B(1), one Br(1), one Br(5), one Br(6), and two equivalent Br(3) atoms to form TbBBr5 octahedra that share  a cornercorner with one Tb(1)B2Br4 octahedra,  a cornercorner with one Tb(3)B2Br4 octahedra,  a cornercorner with one Tb(4)BBr5 octahedra,  an edgeedge with one Tb(2)BBr5 octahedra,  an edgeedge with one Tb(4)BBr5 octahedra, edges with two equivalent Tb(1)B2Br4 octahedra, and edges with two equivalent Tb(3)B2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Tb site, Tb(3) is bonded to two equivalent B(1), one Br(2), one Br(6), and two equivalent Br(5) atoms to form TbB2Br4 octahedra that share  a cornercorner with one Tb(1)B2Br4 octahedra,  a cornercorner with one Tb(2)BBr5 octahedra, corners with two equivalent Tb(4)BBr5 octahedra,  an edgeedge with one Tb(4)BBr5 octahedra, edges with two equivalent Tb(3)B2Br4 octahedra, edges with two equivalent Tb(2)BBr5 octahedra, and edges with three equivalent Tb(1)B2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fourth Tb site, Tb(4) is bonded to one B(1), one Br(3), two equivalent Br(2), and two equivalent Br(4) atoms to form TbBBr5 octahedra that share  a cornercorner with one Tb(2)BBr5 octahedra, corners with two equivalent Tb(3)B2Br4 octahedra,  an edgeedge with one Tb(3)B2Br4 octahedra,  an edgeedge with one Tb(2)BBr5 octahedra, edges with two equivalent Tb(1)B2Br4 octahedra, and edges with two equivalent Tb(4)BBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. B(1) is bonded to one Tb(2), one Tb(4), two equivalent Tb(1), and two equivalent Tb(3) atoms to form edge-sharing BTb6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to one Tb(1) and one Tb(2) atom. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(4) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(4) and two equivalent Tb(2) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Tb(1) and two equivalent Tb(4) atoms. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the sixth Br site, Br(6) is bonded in a distorted T-shaped geometry to one Tb(1), one Tb(2), and one Tb(3) atom. is represented by the CIF card [CIF]
data_Tb4BBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.663
_cell_length_b   10.663
_cell_length_c   12.621
_cell_angle_alpha   84.328
_cell_angle_beta   84.327
_cell_angle_gamma   63.666
_symmetry_Int_Tables_number   1
_cell_volume   1277.234
_cell_formula_units_Z   4
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  0.713  0.471  0.192  1.0
  Tb  Tb1  1  0.529  0.287  0.308  1.0
  Tb  Tb2  1  0.287  0.529  0.808  1.0
  Tb  Tb3  1  0.471  0.713  0.692  1.0
  Tb  Tb4  1  0.785  0.545  0.454  1.0
  Tb  Tb5  1  0.455  0.215  0.046  1.0
  Tb  Tb6  1  0.215  0.455  0.546  1.0
  Tb  Tb7  1  0.545  0.785  0.954  1.0
  Tb  Tb8  1  0.581  0.358  0.589  1.0
  Tb  Tb9  1  0.642  0.419  0.911  1.0
  Tb  Tb10  1  0.419  0.642  0.411  1.0
  Tb  Tb11  1  0.358  0.581  0.089  1.0
  Tb  Tb12  1  0.115  0.813  0.605  1.0
  Tb  Tb13  1  0.187  0.885  0.895  1.0
  Tb  Tb14  1  0.885  0.187  0.395  1.0
  Tb  Tb15  1  0.813  0.115  0.105  1.0
  B  B16  1  0.662  0.412  0.395  1.0
  B  B17  1  0.588  0.338  0.105  1.0
  B  B18  1  0.338  0.588  0.605  1.0
  B  B19  1  0.412  0.662  0.895  1.0
  Br  Br20  1  0.141  0.376  0.748  1.0
  Br  Br21  1  0.624  0.859  0.752  1.0
  Br  Br22  1  0.859  0.624  0.252  1.0
  Br  Br23  1  0.376  0.141  0.248  1.0
  Br  Br24  1  0.158  0.914  0.395  1.0
  Br  Br25  1  0.086  0.841  0.105  1.0
  Br  Br26  1  0.842  0.086  0.605  1.0
  Br  Br27  1  0.914  0.158  0.895  1.0
  Br  Br28  1  0.055  0.307  0.466  1.0
  Br  Br29  1  0.693  0.945  0.034  1.0
  Br  Br30  1  0.946  0.693  0.534  1.0
  Br  Br31  1  0.307  0.055  0.966  1.0
  Br  Br32  1  0.987  0.225  0.180  1.0
  Br  Br33  1  0.775  0.013  0.320  1.0
  Br  Br34  1  0.013  0.775  0.820  1.0
  Br  Br35  1  0.225  0.987  0.680  1.0
  Br  Br36  1  0.470  0.749  0.184  1.0
  Br  Br37  1  0.251  0.530  0.316  1.0
  Br  Br38  1  0.530  0.251  0.816  1.0
  Br  Br39  1  0.749  0.470  0.684  1.0
  Br  Br40  1  0.809  0.547  0.974  1.0
  Br  Br41  1  0.453  0.191  0.526  1.0
  Br  Br42  1  0.191  0.453  0.026  1.0
  Br  Br43  1  0.547  0.809  0.474  1.0
[/CIF]
.