The material structure described by RbSm2Br5 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 6-coordinate geometry to one Br(2), one Br(4), two equivalent Br(1), and two equivalent Br(3) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), and two equivalent Br(5) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and one Sm(2) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Sm(1), and one Sm(2) atom. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sm(2), and two equivalent Sm(1) atoms. In the fourth Br site, Br(4) is bonded in a 4-coordinate geometry to one Rb(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth Br site, Br(5) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSm2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   10.273
_cell_length_c   14.171
_cell_angle_alpha   85.452
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1060.583
_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
  Rb  Rb0  1  0.085  0.499  0.339  1.0
  Rb  Rb1  1  0.915  0.501  0.661  1.0
  Rb  Rb2  1  0.585  0.501  0.161  1.0
  Rb  Rb3  1  0.415  0.499  0.839  1.0
  Sm  Sm4  1  0.118  0.990  0.347  1.0
  Sm  Sm5  1  0.882  0.010  0.653  1.0
  Sm  Sm6  1  0.618  0.010  0.153  1.0
  Sm  Sm7  1  0.382  0.990  0.847  1.0
  Sm  Sm8  1  0.025  0.171  0.989  1.0
  Sm  Sm9  1  0.975  0.829  0.011  1.0
  Sm  Sm10  1  0.525  0.829  0.511  1.0
  Sm  Sm11  1  0.475  0.171  0.489  1.0
  Br  Br12  1  0.159  0.582  0.085  1.0
  Br  Br13  1  0.841  0.418  0.915  1.0
  Br  Br14  1  0.659  0.418  0.415  1.0
  Br  Br15  1  0.341  0.582  0.585  1.0
  Br  Br16  1  0.858  0.232  0.170  1.0
  Br  Br17  1  0.142  0.768  0.830  1.0
  Br  Br18  1  0.358  0.768  0.330  1.0
  Br  Br19  1  0.642  0.232  0.670  1.0
  Br  Br20  1  0.334  0.220  0.284  1.0
  Br  Br21  1  0.666  0.780  0.716  1.0
  Br  Br22  1  0.834  0.780  0.216  1.0
  Br  Br23  1  0.166  0.220  0.784  1.0
  Br  Br24  1  0.442  0.192  0.993  1.0
  Br  Br25  1  0.558  0.808  0.007  1.0
  Br  Br26  1  0.942  0.808  0.507  1.0
  Br  Br27  1  0.058  0.192  0.493  1.0
  Br  Br28  1  0.701  0.025  0.361  1.0
  Br  Br29  1  0.299  0.975  0.639  1.0
  Br  Br30  1  0.201  0.975  0.139  1.0
  Br  Br31  1  0.799  0.025  0.861  1.0
[/CIF]
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The material structure described by RbSm2Br5 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 6-coordinate geometry to one Br(2), one Br(4), two equivalent Br(1), and two equivalent Br(3) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one Br(2), two equivalent Br(3), two equivalent Br(4), and two equivalent Br(5) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), and two equivalent Br(5) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent Rb(1) and one Sm(2) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Sm(1), and one Sm(2) atom. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sm(2), and two equivalent Sm(1) atoms. In the fourth Br site, Br(4) is bonded in a 4-coordinate geometry to one Rb(1), one Sm(2), and two equivalent Sm(1) atoms. In the fifth Br site, Br(5) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of distorted corner and edge-sharing BrSm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSm2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   10.273
_cell_length_c   14.171
_cell_angle_alpha   85.452
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1060.583
_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
  Rb  Rb0  1  0.085  0.499  0.339  1.0
  Rb  Rb1  1  0.915  0.501  0.661  1.0
  Rb  Rb2  1  0.585  0.501  0.161  1.0
  Rb  Rb3  1  0.415  0.499  0.839  1.0
  Sm  Sm4  1  0.118  0.990  0.347  1.0
  Sm  Sm5  1  0.882  0.010  0.653  1.0
  Sm  Sm6  1  0.618  0.010  0.153  1.0
  Sm  Sm7  1  0.382  0.990  0.847  1.0
  Sm  Sm8  1  0.025  0.171  0.989  1.0
  Sm  Sm9  1  0.975  0.829  0.011  1.0
  Sm  Sm10  1  0.525  0.829  0.511  1.0
  Sm  Sm11  1  0.475  0.171  0.489  1.0
  Br  Br12  1  0.159  0.582  0.085  1.0
  Br  Br13  1  0.841  0.418  0.915  1.0
  Br  Br14  1  0.659  0.418  0.415  1.0
  Br  Br15  1  0.341  0.582  0.585  1.0
  Br  Br16  1  0.858  0.232  0.170  1.0
  Br  Br17  1  0.142  0.768  0.830  1.0
  Br  Br18  1  0.358  0.768  0.330  1.0
  Br  Br19  1  0.642  0.232  0.670  1.0
  Br  Br20  1  0.334  0.220  0.284  1.0
  Br  Br21  1  0.666  0.780  0.716  1.0
  Br  Br22  1  0.834  0.780  0.216  1.0
  Br  Br23  1  0.166  0.220  0.784  1.0
  Br  Br24  1  0.442  0.192  0.993  1.0
  Br  Br25  1  0.558  0.808  0.007  1.0
  Br  Br26  1  0.942  0.808  0.507  1.0
  Br  Br27  1  0.058  0.192  0.493  1.0
  Br  Br28  1  0.701  0.025  0.361  1.0
  Br  Br29  1  0.299  0.975  0.639  1.0
  Br  Br30  1  0.201  0.975  0.139  1.0
  Br  Br31  1  0.799  0.025  0.861  1.0
[/CIF]
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