The material described by Tb4C2Br3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent C(2), one Br(1), and three equivalent Br(2) atoms to form distorted TbC2Br4 octahedra that share corners with two equivalent Tb(4)C3Br3 octahedra, corners with two equivalent Tb(2)C4Br2 octahedra,  an edgeedge with one Tb(2)C4Br2 octahedra, edges with two equivalent Tb(3)C3Br3 octahedra, edges with three equivalent Tb(4)C3Br3 octahedra, and edges with four equivalent Tb(1)C2Br4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Tb site, Tb(2) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent Br(3) atoms to form TbC4Br2 octahedra that share corners with two equivalent Tb(1)C2Br4 octahedra, corners with two equivalent Tb(2)C4Br2 octahedra,  an edgeedge with one Tb(1)C2Br4 octahedra, edges with two equivalent Tb(2)C4Br2 octahedra, edges with four equivalent Tb(3)C3Br3 octahedra, and edges with four equivalent Tb(4)C3Br3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Tb site, Tb(3) is bonded to one C(2), two equivalent C(1), one Br(3), and two equivalent Br(1) atoms to form distorted TbC3Br3 octahedra that share corners with four equivalent Tb(4)C3Br3 octahedra,  an edgeedge with one Tb(4)C3Br3 octahedra, edges with two equivalent Tb(1)C2Br4 octahedra, edges with two equivalent Tb(3)C3Br3 octahedra, and edges with four equivalent Tb(2)C4Br2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the fourth Tb site, Tb(4) is bonded to one C(2), two equivalent C(1), one Br(3), and two equivalent Br(2) atoms to form distorted TbC3Br3 octahedra that share corners with two equivalent Tb(1)C2Br4 octahedra, corners with four equivalent Tb(3)C3Br3 octahedra,  an edgeedge with one Tb(3)C3Br3 octahedra, edges with two equivalent Tb(4)C3Br3 octahedra, edges with three equivalent Tb(1)C2Br4 octahedra, and edges with four equivalent Tb(2)C4Br2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Tb(2), two equivalent Tb(3), and two equivalent Tb(4) atoms to form a mixture of corner and edge-sharing CTb6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second C site, C(2) is bonded to one Tb(3), one Tb(4), two equivalent Tb(1), and two equivalent Tb(2) atoms to form edge-sharing CTb6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(3) is bonded in a distorted square co-planar geometry to one Tb(3), one Tb(4), and two equivalent Tb(2) atoms. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(3) atoms. In the third Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Tb(4) and three equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4C2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.698
_cell_length_b   10.792
_cell_length_c   20.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   814.542
_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  0.250  0.867  0.579  1.0
  Tb  Tb1  1  0.750  0.133  0.421  1.0
  Tb  Tb2  1  0.750  0.633  0.079  1.0
  Tb  Tb3  1  0.250  0.367  0.921  1.0
  Tb  Tb4  1  0.250  0.869  0.744  1.0
  Tb  Tb5  1  0.750  0.131  0.256  1.0
  Tb  Tb6  1  0.750  0.631  0.244  1.0
  Tb  Tb7  1  0.250  0.369  0.756  1.0
  Tb  Tb8  1  0.250  0.866  0.169  1.0
  Tb  Tb9  1  0.750  0.134  0.831  1.0
  Tb  Tb10  1  0.750  0.634  0.669  1.0
  Tb  Tb11  1  0.250  0.366  0.331  1.0
  Tb  Tb12  1  0.250  0.897  0.330  1.0
  Tb  Tb13  1  0.750  0.103  0.670  1.0
  Tb  Tb14  1  0.750  0.603  0.830  1.0
  Tb  Tb15  1  0.250  0.397  0.170  1.0
  C  C16  1  0.250  0.618  0.751  1.0
  C  C17  1  0.750  0.382  0.249  1.0
  C  C18  1  0.750  0.882  0.251  1.0
  C  C19  1  0.250  0.118  0.749  1.0
  C  C20  1  0.250  0.630  0.156  1.0
  C  C21  1  0.750  0.370  0.844  1.0
  C  C22  1  0.750  0.870  0.656  1.0
  C  C23  1  0.250  0.130  0.344  1.0
  Br  Br24  1  0.250  0.614  0.555  1.0
  Br  Br25  1  0.750  0.386  0.445  1.0
  Br  Br26  1  0.750  0.886  0.055  1.0
  Br  Br27  1  0.250  0.114  0.945  1.0
  Br  Br28  1  0.250  0.629  0.954  1.0
  Br  Br29  1  0.750  0.371  0.046  1.0
  Br  Br30  1  0.750  0.871  0.454  1.0
  Br  Br31  1  0.250  0.129  0.546  1.0
  Br  Br32  1  0.250  0.633  0.358  1.0
  Br  Br33  1  0.750  0.367  0.642  1.0
  Br  Br34  1  0.750  0.867  0.858  1.0
  Br  Br35  1  0.250  0.133  0.142  1.0
[/CIF]
.
The material described by Tb4C2Br3 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent C(2), one Br(1), and three equivalent Br(2) atoms to form distorted TbC2Br4 octahedra that share corners with two equivalent Tb(4)C3Br3 octahedra, corners with two equivalent Tb(2)C4Br2 octahedra,  an edgeedge with one Tb(2)C4Br2 octahedra, edges with two equivalent Tb(3)C3Br3 octahedra, edges with three equivalent Tb(4)C3Br3 octahedra, and edges with four equivalent Tb(1)C2Br4 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Tb site, Tb(2) is bonded to two equivalent C(1), two equivalent C(2), and two equivalent Br(3) atoms to form TbC4Br2 octahedra that share corners with two equivalent Tb(1)C2Br4 octahedra, corners with two equivalent Tb(2)C4Br2 octahedra,  an edgeedge with one Tb(1)C2Br4 octahedra, edges with two equivalent Tb(2)C4Br2 octahedra, edges with four equivalent Tb(3)C3Br3 octahedra, and edges with four equivalent Tb(4)C3Br3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Tb site, Tb(3) is bonded to one C(2), two equivalent C(1), one Br(3), and two equivalent Br(1) atoms to form distorted TbC3Br3 octahedra that share corners with four equivalent Tb(4)C3Br3 octahedra,  an edgeedge with one Tb(4)C3Br3 octahedra, edges with two equivalent Tb(1)C2Br4 octahedra, edges with two equivalent Tb(3)C3Br3 octahedra, and edges with four equivalent Tb(2)C4Br2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the fourth Tb site, Tb(4) is bonded to one C(2), two equivalent C(1), one Br(3), and two equivalent Br(2) atoms to form distorted TbC3Br3 octahedra that share corners with two equivalent Tb(1)C2Br4 octahedra, corners with four equivalent Tb(3)C3Br3 octahedra,  an edgeedge with one Tb(3)C3Br3 octahedra, edges with two equivalent Tb(4)C3Br3 octahedra, edges with three equivalent Tb(1)C2Br4 octahedra, and edges with four equivalent Tb(2)C4Br2 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Tb(2), two equivalent Tb(3), and two equivalent Tb(4) atoms to form a mixture of corner and edge-sharing CTb6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second C site, C(2) is bonded to one Tb(3), one Tb(4), two equivalent Tb(1), and two equivalent Tb(2) atoms to form edge-sharing CTb6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(3) is bonded in a distorted square co-planar geometry to one Tb(3), one Tb(4), and two equivalent Tb(2) atoms. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(3) atoms. In the third Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Tb(4) and three equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4C2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.698
_cell_length_b   10.792
_cell_length_c   20.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   814.542
_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  0.250  0.867  0.579  1.0
  Tb  Tb1  1  0.750  0.133  0.421  1.0
  Tb  Tb2  1  0.750  0.633  0.079  1.0
  Tb  Tb3  1  0.250  0.367  0.921  1.0
  Tb  Tb4  1  0.250  0.869  0.744  1.0
  Tb  Tb5  1  0.750  0.131  0.256  1.0
  Tb  Tb6  1  0.750  0.631  0.244  1.0
  Tb  Tb7  1  0.250  0.369  0.756  1.0
  Tb  Tb8  1  0.250  0.866  0.169  1.0
  Tb  Tb9  1  0.750  0.134  0.831  1.0
  Tb  Tb10  1  0.750  0.634  0.669  1.0
  Tb  Tb11  1  0.250  0.366  0.331  1.0
  Tb  Tb12  1  0.250  0.897  0.330  1.0
  Tb  Tb13  1  0.750  0.103  0.670  1.0
  Tb  Tb14  1  0.750  0.603  0.830  1.0
  Tb  Tb15  1  0.250  0.397  0.170  1.0
  C  C16  1  0.250  0.618  0.751  1.0
  C  C17  1  0.750  0.382  0.249  1.0
  C  C18  1  0.750  0.882  0.251  1.0
  C  C19  1  0.250  0.118  0.749  1.0
  C  C20  1  0.250  0.630  0.156  1.0
  C  C21  1  0.750  0.370  0.844  1.0
  C  C22  1  0.750  0.870  0.656  1.0
  C  C23  1  0.250  0.130  0.344  1.0
  Br  Br24  1  0.250  0.614  0.555  1.0
  Br  Br25  1  0.750  0.386  0.445  1.0
  Br  Br26  1  0.750  0.886  0.055  1.0
  Br  Br27  1  0.250  0.114  0.945  1.0
  Br  Br28  1  0.250  0.629  0.954  1.0
  Br  Br29  1  0.750  0.371  0.046  1.0
  Br  Br30  1  0.750  0.871  0.454  1.0
  Br  Br31  1  0.250  0.129  0.546  1.0
  Br  Br32  1  0.250  0.633  0.358  1.0
  Br  Br33  1  0.750  0.367  0.642  1.0
  Br  Br34  1  0.750  0.867  0.858  1.0
  Br  Br35  1  0.250  0.133  0.142  1.0
[/CIF]
.