The compound described by Tb6RuBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Ru(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Tb site, Tb(2) is bonded to one Ru(1), one Br(1), one Br(2), one Br(4), and two equivalent Br(5) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third Tb site, Tb(3) is bonded to one Ru(1), one Br(2), one Br(3), one Br(4), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ru(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Tb(2) and one Tb(3) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(1) atoms. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Tb(3) atom. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to one Tb(1) and two equivalent Tb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb6RuBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.360
_cell_length_b   9.118
_cell_length_c   9.146
_cell_angle_alpha   108.269
_cell_angle_beta   96.938
_cell_angle_gamma   106.030
_symmetry_Int_Tables_number   1
_cell_volume   545.544
_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
  Tb  Tb0  1  0.123  0.045  0.755  1.0
  Tb  Tb1  1  0.877  0.955  0.245  1.0
  Tb  Tb2  1  0.972  0.297  0.092  1.0
  Tb  Tb3  1  0.028  0.703  0.908  1.0
  Tb  Tb4  1  0.371  0.141  0.186  1.0
  Tb  Tb5  1  0.629  0.859  0.814  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.548  0.181  0.914  1.0
  Br  Br8  1  0.452  0.819  0.086  1.0
  Br  Br9  1  0.358  0.461  0.276  1.0
  Br  Br10  1  0.642  0.539  0.724  1.0
  Br  Br11  1  0.258  0.086  0.461  1.0
  Br  Br12  1  0.742  0.914  0.539  1.0
  Br  Br13  1  0.797  0.263  0.355  1.0
  Br  Br14  1  0.203  0.737  0.645  1.0
  Br  Br15  1  0.089  0.371  0.824  1.0
  Br  Br16  1  0.911  0.629  0.176  1.0
[/CIF]
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The compound described by Tb6RuBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Ru(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Tb site, Tb(2) is bonded to one Ru(1), one Br(1), one Br(2), one Br(4), and two equivalent Br(5) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third Tb site, Tb(3) is bonded to one Ru(1), one Br(2), one Br(3), one Br(4), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing TbRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ru(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Tb(2) and one Tb(3) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(1) atoms. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Tb(3) atom. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to one Tb(1) and two equivalent Tb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb6RuBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.360
_cell_length_b   9.118
_cell_length_c   9.146
_cell_angle_alpha   108.269
_cell_angle_beta   96.938
_cell_angle_gamma   106.030
_symmetry_Int_Tables_number   1
_cell_volume   545.544
_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
  Tb  Tb0  1  0.123  0.045  0.755  1.0
  Tb  Tb1  1  0.877  0.955  0.245  1.0
  Tb  Tb2  1  0.972  0.297  0.092  1.0
  Tb  Tb3  1  0.028  0.703  0.908  1.0
  Tb  Tb4  1  0.371  0.141  0.186  1.0
  Tb  Tb5  1  0.629  0.859  0.814  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.548  0.181  0.914  1.0
  Br  Br8  1  0.452  0.819  0.086  1.0
  Br  Br9  1  0.358  0.461  0.276  1.0
  Br  Br10  1  0.642  0.539  0.724  1.0
  Br  Br11  1  0.258  0.086  0.461  1.0
  Br  Br12  1  0.742  0.914  0.539  1.0
  Br  Br13  1  0.797  0.263  0.355  1.0
  Br  Br14  1  0.203  0.737  0.645  1.0
  Br  Br15  1  0.089  0.371  0.824  1.0
  Br  Br16  1  0.911  0.629  0.176  1.0
[/CIF]
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