The material described by Sm6Br13 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one Br(5), two equivalent Br(1), two equivalent Br(4), and two equivalent Br(7) atoms. In the second Sm site, Sm(2) is bonded to two equivalent Br(5), two equivalent Br(7), and three equivalent Br(2) atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one Br(4), two equivalent Br(1), two equivalent Br(3), and three equivalent Br(6) atoms. There are seven inequivalent Br sites. In the first Br site, Br(7) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the second Br site, Br(1) is bonded to two equivalent Sm(1) and two equivalent Sm(3) atoms to form a mixture of corner and edge-sharing BrSm4 tetrahedra. In the third Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(2) atoms. In the fourth Br site, Br(3) is bonded to four equivalent Sm(3) atoms to form a mixture of corner and edge-sharing BrSm4 tetrahedra. In the fifth Br site, Br(4) is bonded in a trigonal planar geometry to one Sm(3) and two equivalent Sm(1) atoms. In the sixth Br site, Br(5) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Sm(2) atoms. In the seventh Br site, Br(6) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(3) atoms. is represented by the CIF file [CIF]
data_Sm6Br13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.823
_cell_length_b   21.823
_cell_length_c   7.332
_cell_angle_alpha   82.277
_cell_angle_beta   82.277
_cell_angle_gamma   19.363
_symmetry_Int_Tables_number   1
_cell_volume   1146.996
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.585  0.156  0.045  1.0
  Sm  Sm1  1  0.496  0.904  0.176  1.0
  Sm  Sm2  1  0.699  0.222  0.585  1.0
  Sm  Sm3  1  0.222  0.699  0.085  1.0
  Sm  Sm4  1  0.156  0.585  0.545  1.0
  Sm  Sm5  1  0.778  0.301  0.915  1.0
  Sm  Sm6  1  0.415  0.844  0.955  1.0
  Sm  Sm7  1  0.504  0.096  0.824  1.0
  Sm  Sm8  1  0.096  0.504  0.324  1.0
  Sm  Sm9  1  0.904  0.496  0.676  1.0
  Sm  Sm10  1  0.844  0.415  0.455  1.0
  Sm  Sm11  1  0.301  0.778  0.415  1.0
  Br  Br12  1  0.463  0.375  0.319  1.0
  Br  Br13  1  0.291  0.224  0.119  1.0
  Br  Br14  1  0.776  0.709  0.381  1.0
  Br  Br15  1  0.552  0.448  0.250  1.0
  Br  Br16  1  0.178  0.025  0.290  1.0
  Br  Br17  1  0.135  0.229  0.402  1.0
  Br  Br18  1  0.902  0.160  0.544  1.0
  Br  Br19  1  0.025  0.178  0.790  1.0
  Br  Br20  1  0.773  0.551  0.071  1.0
  Br  Br21  1  0.865  0.771  0.598  1.0
  Br  Br22  1  0.448  0.552  0.750  1.0
  Br  Br23  1  0.449  0.227  0.429  1.0
  Br  Br24  1  0.840  0.098  0.956  1.0
  Br  Br25  1  0.537  0.625  0.681  1.0
  Br  Br26  1  0.227  0.449  0.929  1.0
  Br  Br27  1  0.625  0.537  0.181  1.0
  Br  Br28  1  0.229  0.135  0.902  1.0
  Br  Br29  1  0.709  0.776  0.881  1.0
  Br  Br30  1  0.975  0.822  0.210  1.0
  Br  Br31  1  0.551  0.773  0.571  1.0
  Br  Br32  1  0.098  0.840  0.456  1.0
  Br  Br33  1  0.771  0.865  0.098  1.0
  Br  Br34  1  0.160  0.902  0.044  1.0
  Br  Br35  1  0.822  0.975  0.710  1.0
  Br  Br36  1  0.224  0.291  0.619  1.0
  Br  Br37  1  0.375  0.463  0.819  1.0
[/CIF]
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The material described by Sm6Br13 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one Br(5), two equivalent Br(1), two equivalent Br(4), and two equivalent Br(7) atoms. In the second Sm site, Sm(2) is bonded to two equivalent Br(5), two equivalent Br(7), and three equivalent Br(2) atoms to form a mixture of distorted corner and edge-sharing SmBr7 pentagonal bipyramids. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one Br(4), two equivalent Br(1), two equivalent Br(3), and three equivalent Br(6) atoms. There are seven inequivalent Br sites. In the first Br site, Br(7) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing BrSm4 trigonal pyramids. In the second Br site, Br(1) is bonded to two equivalent Sm(1) and two equivalent Sm(3) atoms to form a mixture of corner and edge-sharing BrSm4 tetrahedra. In the third Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(2) atoms. In the fourth Br site, Br(3) is bonded to four equivalent Sm(3) atoms to form a mixture of corner and edge-sharing BrSm4 tetrahedra. In the fifth Br site, Br(4) is bonded in a trigonal planar geometry to one Sm(3) and two equivalent Sm(1) atoms. In the sixth Br site, Br(5) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Sm(2) atoms. In the seventh Br site, Br(6) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm(3) atoms. is represented by the CIF file [CIF]
data_Sm6Br13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.823
_cell_length_b   21.823
_cell_length_c   7.332
_cell_angle_alpha   82.277
_cell_angle_beta   82.277
_cell_angle_gamma   19.363
_symmetry_Int_Tables_number   1
_cell_volume   1146.996
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.585  0.156  0.045  1.0
  Sm  Sm1  1  0.496  0.904  0.176  1.0
  Sm  Sm2  1  0.699  0.222  0.585  1.0
  Sm  Sm3  1  0.222  0.699  0.085  1.0
  Sm  Sm4  1  0.156  0.585  0.545  1.0
  Sm  Sm5  1  0.778  0.301  0.915  1.0
  Sm  Sm6  1  0.415  0.844  0.955  1.0
  Sm  Sm7  1  0.504  0.096  0.824  1.0
  Sm  Sm8  1  0.096  0.504  0.324  1.0
  Sm  Sm9  1  0.904  0.496  0.676  1.0
  Sm  Sm10  1  0.844  0.415  0.455  1.0
  Sm  Sm11  1  0.301  0.778  0.415  1.0
  Br  Br12  1  0.463  0.375  0.319  1.0
  Br  Br13  1  0.291  0.224  0.119  1.0
  Br  Br14  1  0.776  0.709  0.381  1.0
  Br  Br15  1  0.552  0.448  0.250  1.0
  Br  Br16  1  0.178  0.025  0.290  1.0
  Br  Br17  1  0.135  0.229  0.402  1.0
  Br  Br18  1  0.902  0.160  0.544  1.0
  Br  Br19  1  0.025  0.178  0.790  1.0
  Br  Br20  1  0.773  0.551  0.071  1.0
  Br  Br21  1  0.865  0.771  0.598  1.0
  Br  Br22  1  0.448  0.552  0.750  1.0
  Br  Br23  1  0.449  0.227  0.429  1.0
  Br  Br24  1  0.840  0.098  0.956  1.0
  Br  Br25  1  0.537  0.625  0.681  1.0
  Br  Br26  1  0.227  0.449  0.929  1.0
  Br  Br27  1  0.625  0.537  0.181  1.0
  Br  Br28  1  0.229  0.135  0.902  1.0
  Br  Br29  1  0.709  0.776  0.881  1.0
  Br  Br30  1  0.975  0.822  0.210  1.0
  Br  Br31  1  0.551  0.773  0.571  1.0
  Br  Br32  1  0.098  0.840  0.456  1.0
  Br  Br33  1  0.771  0.865  0.098  1.0
  Br  Br34  1  0.160  0.902  0.044  1.0
  Br  Br35  1  0.822  0.975  0.710  1.0
  Br  Br36  1  0.224  0.291  0.619  1.0
  Br  Br37  1  0.375  0.463  0.819  1.0
[/CIF]
.