The material structure described by Ce2SbS5Br crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to one S(2), one S(4), two equivalent S(1), three equivalent S(3), and three equivalent Br(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(4), four equivalent S(1), and one Br(1) atom. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(3), one S(4), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ce(1), two equivalent Ce(2), and one S(1) atom to form SCe3S tetrahedra that share corners with three equivalent S(3)Ce3Sb tetrahedra, corners with three equivalent Br(1)Ce4 tetrahedra, corners with four equivalent S(1)Ce3S tetrahedra,  a cornercorner with one S(2)Ce3Sb2 trigonal bipyramid, corners with five equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one Br(1)Ce4 tetrahedra, edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids, and  a faceface with one S(1)Ce3S tetrahedra. In the second S site, S(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent Sb(1) atoms to form SCe3Sb2 trigonal bipyramids that share  a cornercorner with one S(3)Ce3Sb tetrahedra, corners with two equivalent S(1)Ce3S tetrahedra, corners with five equivalent Br(1)Ce4 tetrahedra, corners with four equivalent S(2)Ce3Sb2 trigonal bipyramids, corners with three equivalent S(4)Ce3Sb trigonal pyramids, edges with two equivalent S(3)Ce3Sb tetrahedra, edges with four equivalent S(1)Ce3S tetrahedra, and edges with two equivalent S(4)Ce3Sb trigonal pyramids. In the third S site, S(3) is bonded to three equivalent Ce(1) and one Sb(1) atom to form distorted SCe3Sb tetrahedra that share corners with two equivalent S(3)Ce3Sb tetrahedra, corners with six equivalent S(1)Ce3S tetrahedra, corners with seven equivalent Br(1)Ce4 tetrahedra,  a cornercorner with one S(2)Ce3Sb2 trigonal bipyramid, corners with two equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one Br(1)Ce4 tetrahedra, edges with two equivalent S(3)Ce3Sb tetrahedra, edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids, and  an edgeedge with one S(4)Ce3Sb trigonal pyramid. In the fourth S site, S(4) is bonded to one Ce(1), two equivalent Ce(2), and one Sb(1) atom to form SCe3Sb trigonal pyramids that share  a cornercorner with one Br(1)Ce4 tetrahedra, corners with two equivalent S(3)Ce3Sb tetrahedra, corners with ten equivalent S(1)Ce3S tetrahedra, corners with three equivalent S(2)Ce3Sb2 trigonal bipyramids, corners with two equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one S(3)Ce3Sb tetrahedra, edges with two equivalent Br(1)Ce4 tetrahedra, and edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids. Br(1) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form distorted BrCe4 tetrahedra that share corners with two equivalent Br(1)Ce4 tetrahedra, corners with six equivalent S(1)Ce3S tetrahedra, corners with seven equivalent S(3)Ce3Sb tetrahedra, corners with five equivalent S(2)Ce3Sb2 trigonal bipyramids,  a cornercorner with one S(4)Ce3Sb trigonal pyramid,  an edgeedge with one S(3)Ce3Sb tetrahedra, edges with two equivalent S(1)Ce3S tetrahedra, edges with two equivalent Br(1)Ce4 tetrahedra, and edges with two equivalent S(4)Ce3Sb trigonal pyramids. is represented by the CIF card [CIF]
data_Ce2SbS5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   8.859
_cell_length_c   17.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.851
_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
  Ce  Ce0  1  0.250  0.777  0.030  1.0
  Ce  Ce1  1  0.750  0.723  0.530  1.0
  Ce  Ce2  1  0.750  0.223  0.970  1.0
  Ce  Ce3  1  0.250  0.845  0.300  1.0
  Ce  Ce4  1  0.750  0.655  0.800  1.0
  Ce  Ce5  1  0.250  0.345  0.200  1.0
  Ce  Ce6  1  0.250  0.277  0.470  1.0
  Ce  Ce7  1  0.750  0.155  0.700  1.0
  Sb  Sb8  1  0.750  0.514  0.329  1.0
  Sb  Sb9  1  0.750  0.014  0.171  1.0
  Sb  Sb10  1  0.250  0.986  0.829  1.0
  Sb  Sb11  1  0.250  0.486  0.671  1.0
  S  S12  1  0.441  0.655  0.173  1.0
  S  S13  1  0.941  0.345  0.827  1.0
  S  S14  1  0.941  0.845  0.673  1.0
  S  S15  1  0.750  0.980  0.845  1.0
  S  S16  1  0.750  0.480  0.655  1.0
  S  S17  1  0.250  0.020  0.155  1.0
  S  S18  1  0.750  0.925  0.041  1.0
  S  S19  1  0.441  0.155  0.327  1.0
  S  S20  1  0.250  0.075  0.959  1.0
  S  S21  1  0.250  0.520  0.345  1.0
  S  S22  1  0.750  0.787  0.358  1.0
  S  S23  1  0.750  0.425  0.459  1.0
  S  S24  1  0.059  0.155  0.327  1.0
  S  S25  1  0.250  0.713  0.858  1.0
  S  S26  1  0.750  0.287  0.142  1.0
  S  S27  1  0.250  0.213  0.642  1.0
  S  S28  1  0.059  0.655  0.173  1.0
  S  S29  1  0.559  0.845  0.673  1.0
  S  S30  1  0.250  0.575  0.541  1.0
  S  S31  1  0.559  0.345  0.827  1.0
  Br  Br32  1  0.250  0.404  0.028  1.0
  Br  Br33  1  0.250  0.904  0.472  1.0
  Br  Br34  1  0.750  0.596  0.972  1.0
  Br  Br35  1  0.750  0.096  0.528  1.0
[/CIF]
.
The material structure described by Ce2SbS5Br crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to one S(2), one S(4), two equivalent S(1), three equivalent S(3), and three equivalent Br(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(4), four equivalent S(1), and one Br(1) atom. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(3), one S(4), and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Ce(1), two equivalent Ce(2), and one S(1) atom to form SCe3S tetrahedra that share corners with three equivalent S(3)Ce3Sb tetrahedra, corners with three equivalent Br(1)Ce4 tetrahedra, corners with four equivalent S(1)Ce3S tetrahedra,  a cornercorner with one S(2)Ce3Sb2 trigonal bipyramid, corners with five equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one Br(1)Ce4 tetrahedra, edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids, and  a faceface with one S(1)Ce3S tetrahedra. In the second S site, S(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent Sb(1) atoms to form SCe3Sb2 trigonal bipyramids that share  a cornercorner with one S(3)Ce3Sb tetrahedra, corners with two equivalent S(1)Ce3S tetrahedra, corners with five equivalent Br(1)Ce4 tetrahedra, corners with four equivalent S(2)Ce3Sb2 trigonal bipyramids, corners with three equivalent S(4)Ce3Sb trigonal pyramids, edges with two equivalent S(3)Ce3Sb tetrahedra, edges with four equivalent S(1)Ce3S tetrahedra, and edges with two equivalent S(4)Ce3Sb trigonal pyramids. In the third S site, S(3) is bonded to three equivalent Ce(1) and one Sb(1) atom to form distorted SCe3Sb tetrahedra that share corners with two equivalent S(3)Ce3Sb tetrahedra, corners with six equivalent S(1)Ce3S tetrahedra, corners with seven equivalent Br(1)Ce4 tetrahedra,  a cornercorner with one S(2)Ce3Sb2 trigonal bipyramid, corners with two equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one Br(1)Ce4 tetrahedra, edges with two equivalent S(3)Ce3Sb tetrahedra, edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids, and  an edgeedge with one S(4)Ce3Sb trigonal pyramid. In the fourth S site, S(4) is bonded to one Ce(1), two equivalent Ce(2), and one Sb(1) atom to form SCe3Sb trigonal pyramids that share  a cornercorner with one Br(1)Ce4 tetrahedra, corners with two equivalent S(3)Ce3Sb tetrahedra, corners with ten equivalent S(1)Ce3S tetrahedra, corners with three equivalent S(2)Ce3Sb2 trigonal bipyramids, corners with two equivalent S(4)Ce3Sb trigonal pyramids,  an edgeedge with one S(3)Ce3Sb tetrahedra, edges with two equivalent Br(1)Ce4 tetrahedra, and edges with two equivalent S(2)Ce3Sb2 trigonal bipyramids. Br(1) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form distorted BrCe4 tetrahedra that share corners with two equivalent Br(1)Ce4 tetrahedra, corners with six equivalent S(1)Ce3S tetrahedra, corners with seven equivalent S(3)Ce3Sb tetrahedra, corners with five equivalent S(2)Ce3Sb2 trigonal bipyramids,  a cornercorner with one S(4)Ce3Sb trigonal pyramid,  an edgeedge with one S(3)Ce3Sb tetrahedra, edges with two equivalent S(1)Ce3S tetrahedra, edges with two equivalent Br(1)Ce4 tetrahedra, and edges with two equivalent S(4)Ce3Sb trigonal pyramids. is represented by the CIF card [CIF]
data_Ce2SbS5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   8.859
_cell_length_c   17.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   861.851
_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
  Ce  Ce0  1  0.250  0.777  0.030  1.0
  Ce  Ce1  1  0.750  0.723  0.530  1.0
  Ce  Ce2  1  0.750  0.223  0.970  1.0
  Ce  Ce3  1  0.250  0.845  0.300  1.0
  Ce  Ce4  1  0.750  0.655  0.800  1.0
  Ce  Ce5  1  0.250  0.345  0.200  1.0
  Ce  Ce6  1  0.250  0.277  0.470  1.0
  Ce  Ce7  1  0.750  0.155  0.700  1.0
  Sb  Sb8  1  0.750  0.514  0.329  1.0
  Sb  Sb9  1  0.750  0.014  0.171  1.0
  Sb  Sb10  1  0.250  0.986  0.829  1.0
  Sb  Sb11  1  0.250  0.486  0.671  1.0
  S  S12  1  0.441  0.655  0.173  1.0
  S  S13  1  0.941  0.345  0.827  1.0
  S  S14  1  0.941  0.845  0.673  1.0
  S  S15  1  0.750  0.980  0.845  1.0
  S  S16  1  0.750  0.480  0.655  1.0
  S  S17  1  0.250  0.020  0.155  1.0
  S  S18  1  0.750  0.925  0.041  1.0
  S  S19  1  0.441  0.155  0.327  1.0
  S  S20  1  0.250  0.075  0.959  1.0
  S  S21  1  0.250  0.520  0.345  1.0
  S  S22  1  0.750  0.787  0.358  1.0
  S  S23  1  0.750  0.425  0.459  1.0
  S  S24  1  0.059  0.155  0.327  1.0
  S  S25  1  0.250  0.713  0.858  1.0
  S  S26  1  0.750  0.287  0.142  1.0
  S  S27  1  0.250  0.213  0.642  1.0
  S  S28  1  0.059  0.655  0.173  1.0
  S  S29  1  0.559  0.845  0.673  1.0
  S  S30  1  0.250  0.575  0.541  1.0
  S  S31  1  0.559  0.345  0.827  1.0
  Br  Br32  1  0.250  0.404  0.028  1.0
  Br  Br33  1  0.250  0.904  0.472  1.0
  Br  Br34  1  0.750  0.596  0.972  1.0
  Br  Br35  1  0.750  0.096  0.528  1.0
[/CIF]
.