The compound described by Rb5Tm3Br12 crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Br(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(1), and four equivalent Br(3) atoms. Tm(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form edge-sharing TmBr6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Rb(2) and two equivalent Tm(1) atoms to form distorted corner-sharing BrRb2Tm2 trigonal pyramids. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Rb(2) and two equivalent Tm(1) atoms. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Tm(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5Tm3Br12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.088
_cell_length_b   14.088
_cell_length_c   4.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   762.988
_cell_formula_units_Z   1
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  0.333  0.667  0.000  1.0
  Rb  Rb1  1  0.667  0.333  0.000  1.0
  Rb  Rb2  1  0.717  0.000  0.000  1.0
  Rb  Rb3  1  0.000  0.717  0.000  1.0
  Rb  Rb4  1  0.283  0.283  0.000  1.0
  Tm  Tm5  1  0.325  0.000  0.500  1.0
  Tm  Tm6  1  0.000  0.325  0.500  1.0
  Tm  Tm7  1  0.675  0.675  0.500  1.0
  Br  Br8  1  0.193  0.000  0.000  1.0
  Br  Br9  1  0.000  0.193  0.000  1.0
  Br  Br10  1  0.807  0.807  0.000  1.0
  Br  Br11  1  0.455  0.000  0.000  1.0
  Br  Br12  1  0.000  0.455  0.000  1.0
  Br  Br13  1  0.545  0.545  0.000  1.0
  Br  Br14  1  0.229  0.440  0.500  1.0
  Br  Br15  1  0.560  0.789  0.500  1.0
  Br  Br16  1  0.440  0.229  0.500  1.0
  Br  Br17  1  0.211  0.771  0.500  1.0
  Br  Br18  1  0.789  0.560  0.500  1.0
  Br  Br19  1  0.771  0.211  0.500  1.0
[/CIF]
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The compound described by Rb5Tm3Br12 crystallizes in the hexagonal P-62m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Br(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Br(2), two equivalent Br(1), and four equivalent Br(3) atoms. Tm(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form edge-sharing TmBr6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Rb(2) and two equivalent Tm(1) atoms to form distorted corner-sharing BrRb2Tm2 trigonal pyramids. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Rb(2) and two equivalent Tm(1) atoms. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Tm(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb5Tm3Br12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.088
_cell_length_b   14.088
_cell_length_c   4.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   762.988
_cell_formula_units_Z   1
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  0.333  0.667  0.000  1.0
  Rb  Rb1  1  0.667  0.333  0.000  1.0
  Rb  Rb2  1  0.717  0.000  0.000  1.0
  Rb  Rb3  1  0.000  0.717  0.000  1.0
  Rb  Rb4  1  0.283  0.283  0.000  1.0
  Tm  Tm5  1  0.325  0.000  0.500  1.0
  Tm  Tm6  1  0.000  0.325  0.500  1.0
  Tm  Tm7  1  0.675  0.675  0.500  1.0
  Br  Br8  1  0.193  0.000  0.000  1.0
  Br  Br9  1  0.000  0.193  0.000  1.0
  Br  Br10  1  0.807  0.807  0.000  1.0
  Br  Br11  1  0.455  0.000  0.000  1.0
  Br  Br12  1  0.000  0.455  0.000  1.0
  Br  Br13  1  0.545  0.545  0.000  1.0
  Br  Br14  1  0.229  0.440  0.500  1.0
  Br  Br15  1  0.560  0.789  0.500  1.0
  Br  Br16  1  0.440  0.229  0.500  1.0
  Br  Br17  1  0.211  0.771  0.500  1.0
  Br  Br18  1  0.789  0.560  0.500  1.0
  Br  Br19  1  0.771  0.211  0.500  1.0
[/CIF]
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