The crystal structure described by Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent Br(1) atoms. Tm(1) is bonded to six equivalent Br(1) atoms to form TmBr6 octahedra that share corners with six equivalent Cu(1)Br4 tetrahedra. Cu(1) is bonded to one Br(2) and three equivalent Br(1) atoms to form CuBr4 tetrahedra that share corners with three equivalent Tm(1)Br6 octahedra and corners with three equivalent Cu(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Tm(1), and one Cu(1) atom. In the second Br site, Br(2) is bonded in a tetrahedral geometry to four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Rb3Tm2Cu4Br13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.001
_cell_length_b   11.001
_cell_length_c   11.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1331.298
_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
  Rb  Rb0  1  0.000  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Rb  Rb2  1  0.000  0.500  0.500  1.0
  Rb  Rb3  1  0.500  0.000  0.500  1.0
  Rb  Rb4  1  0.500  0.500  0.000  1.0
  Rb  Rb5  1  0.500  0.000  0.000  1.0
  Tm  Tm6  1  0.250  0.750  0.250  1.0
  Tm  Tm7  1  0.750  0.250  0.250  1.0
  Tm  Tm8  1  0.250  0.250  0.750  1.0
  Tm  Tm9  1  0.750  0.750  0.750  1.0
  Cu  Cu10  1  0.128  0.128  0.128  1.0
  Cu  Cu11  1  0.372  0.628  0.628  1.0
  Cu  Cu12  1  0.872  0.128  0.872  1.0
  Cu  Cu13  1  0.628  0.372  0.628  1.0
  Cu  Cu14  1  0.128  0.872  0.872  1.0
  Cu  Cu15  1  0.372  0.372  0.372  1.0
  Cu  Cu16  1  0.628  0.628  0.372  1.0
  Cu  Cu17  1  0.872  0.872  0.128  1.0
  Br  Br18  1  0.226  0.734  0.499  1.0
  Br  Br19  1  0.999  0.274  0.234  1.0
  Br  Br20  1  0.501  0.226  0.266  1.0
  Br  Br21  1  0.234  0.999  0.274  1.0
  Br  Br22  1  0.234  0.001  0.726  1.0
  Br  Br23  1  0.766  0.999  0.726  1.0
  Br  Br24  1  0.000  0.000  0.000  1.0
  Br  Br25  1  0.001  0.274  0.766  1.0
  Br  Br26  1  0.499  0.226  0.734  1.0
  Br  Br27  1  0.999  0.726  0.766  1.0
  Br  Br28  1  0.266  0.501  0.226  1.0
  Br  Br29  1  0.501  0.774  0.734  1.0
  Br  Br30  1  0.499  0.774  0.266  1.0
  Br  Br31  1  0.766  0.001  0.274  1.0
  Br  Br32  1  0.774  0.734  0.501  1.0
  Br  Br33  1  0.001  0.726  0.234  1.0
  Br  Br34  1  0.726  0.766  0.999  1.0
  Br  Br35  1  0.266  0.499  0.774  1.0
  Br  Br36  1  0.274  0.766  0.001  1.0
  Br  Br37  1  0.226  0.266  0.501  1.0
  Br  Br38  1  0.500  0.500  0.500  1.0
  Br  Br39  1  0.734  0.501  0.774  1.0
  Br  Br40  1  0.734  0.499  0.226  1.0
  Br  Br41  1  0.774  0.266  0.499  1.0
  Br  Br42  1  0.726  0.234  0.001  1.0
  Br  Br43  1  0.274  0.234  0.999  1.0
[/CIF]
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The crystal structure described by Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent Br(1) atoms. Tm(1) is bonded to six equivalent Br(1) atoms to form TmBr6 octahedra that share corners with six equivalent Cu(1)Br4 tetrahedra. Cu(1) is bonded to one Br(2) and three equivalent Br(1) atoms to form CuBr4 tetrahedra that share corners with three equivalent Tm(1)Br6 octahedra and corners with three equivalent Cu(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Tm(1), and one Cu(1) atom. In the second Br site, Br(2) is bonded in a tetrahedral geometry to four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Rb3Tm2Cu4Br13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.001
_cell_length_b   11.001
_cell_length_c   11.001
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1331.298
_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
  Rb  Rb0  1  0.000  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Rb  Rb2  1  0.000  0.500  0.500  1.0
  Rb  Rb3  1  0.500  0.000  0.500  1.0
  Rb  Rb4  1  0.500  0.500  0.000  1.0
  Rb  Rb5  1  0.500  0.000  0.000  1.0
  Tm  Tm6  1  0.250  0.750  0.250  1.0
  Tm  Tm7  1  0.750  0.250  0.250  1.0
  Tm  Tm8  1  0.250  0.250  0.750  1.0
  Tm  Tm9  1  0.750  0.750  0.750  1.0
  Cu  Cu10  1  0.128  0.128  0.128  1.0
  Cu  Cu11  1  0.372  0.628  0.628  1.0
  Cu  Cu12  1  0.872  0.128  0.872  1.0
  Cu  Cu13  1  0.628  0.372  0.628  1.0
  Cu  Cu14  1  0.128  0.872  0.872  1.0
  Cu  Cu15  1  0.372  0.372  0.372  1.0
  Cu  Cu16  1  0.628  0.628  0.372  1.0
  Cu  Cu17  1  0.872  0.872  0.128  1.0
  Br  Br18  1  0.226  0.734  0.499  1.0
  Br  Br19  1  0.999  0.274  0.234  1.0
  Br  Br20  1  0.501  0.226  0.266  1.0
  Br  Br21  1  0.234  0.999  0.274  1.0
  Br  Br22  1  0.234  0.001  0.726  1.0
  Br  Br23  1  0.766  0.999  0.726  1.0
  Br  Br24  1  0.000  0.000  0.000  1.0
  Br  Br25  1  0.001  0.274  0.766  1.0
  Br  Br26  1  0.499  0.226  0.734  1.0
  Br  Br27  1  0.999  0.726  0.766  1.0
  Br  Br28  1  0.266  0.501  0.226  1.0
  Br  Br29  1  0.501  0.774  0.734  1.0
  Br  Br30  1  0.499  0.774  0.266  1.0
  Br  Br31  1  0.766  0.001  0.274  1.0
  Br  Br32  1  0.774  0.734  0.501  1.0
  Br  Br33  1  0.001  0.726  0.234  1.0
  Br  Br34  1  0.726  0.766  0.999  1.0
  Br  Br35  1  0.266  0.499  0.774  1.0
  Br  Br36  1  0.274  0.766  0.001  1.0
  Br  Br37  1  0.226  0.266  0.501  1.0
  Br  Br38  1  0.500  0.500  0.500  1.0
  Br  Br39  1  0.734  0.501  0.774  1.0
  Br  Br40  1  0.734  0.499  0.226  1.0
  Br  Br41  1  0.774  0.266  0.499  1.0
  Br  Br42  1  0.726  0.234  0.001  1.0
  Br  Br43  1  0.274  0.234  0.999  1.0
[/CIF]
.