The material structure described by Pr6RuBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Pr sites. In the first Pr site, Pr(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 PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Pr site, Pr(2) is bonded to one Ru(1), one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms to form a mixture of edge and corner-sharing PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Pr site, Pr(3) 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 PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ru(1) is bonded in an octahedral geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Pr(2) and one Pr(3) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms. is represented by the CIF file [CIF]
data_Pr6RuBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.713
_cell_length_b   9.465
_cell_length_c   9.566
_cell_angle_alpha   109.192
_cell_angle_beta   96.954
_cell_angle_gamma   106.927
_symmetry_Int_Tables_number   1
_cell_volume   612.498
_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
  Pr  Pr0  1  0.130  0.050  0.755  1.0
  Pr  Pr1  1  0.623  0.849  0.805  1.0
  Pr  Pr2  1  0.870  0.950  0.245  1.0
  Pr  Pr3  1  0.027  0.704  0.905  1.0
  Pr  Pr4  1  0.377  0.151  0.195  1.0
  Pr  Pr5  1  0.973  0.296  0.095  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.195  0.737  0.642  1.0
  Br  Br8  1  0.639  0.530  0.717  1.0
  Br  Br9  1  0.254  0.080  0.456  1.0
  Br  Br10  1  0.805  0.263  0.358  1.0
  Br  Br11  1  0.552  0.176  0.920  1.0
  Br  Br12  1  0.746  0.920  0.544  1.0
  Br  Br13  1  0.903  0.626  0.168  1.0
  Br  Br14  1  0.361  0.470  0.283  1.0
  Br  Br15  1  0.097  0.374  0.832  1.0
  Br  Br16  1  0.448  0.824  0.080  1.0
[/CIF]
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The material structure described by Pr6RuBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Pr sites. In the first Pr site, Pr(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 PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Pr site, Pr(2) is bonded to one Ru(1), one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms to form a mixture of edge and corner-sharing PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Pr site, Pr(3) 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 PrRuBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ru(1) is bonded in an octahedral geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the second Br site, Br(2) is bonded in an L-shaped geometry to one Pr(2) and one Pr(3) atom. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. In the fourth Br site, Br(4) is bonded in a see-saw-like geometry to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms. In the fifth Br site, Br(5) is bonded in a T-shaped geometry to one Pr(1) and two equivalent Pr(3) atoms. is represented by the CIF file [CIF]
data_Pr6RuBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.713
_cell_length_b   9.465
_cell_length_c   9.566
_cell_angle_alpha   109.192
_cell_angle_beta   96.954
_cell_angle_gamma   106.927
_symmetry_Int_Tables_number   1
_cell_volume   612.498
_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
  Pr  Pr0  1  0.130  0.050  0.755  1.0
  Pr  Pr1  1  0.623  0.849  0.805  1.0
  Pr  Pr2  1  0.870  0.950  0.245  1.0
  Pr  Pr3  1  0.027  0.704  0.905  1.0
  Pr  Pr4  1  0.377  0.151  0.195  1.0
  Pr  Pr5  1  0.973  0.296  0.095  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  Br  Br7  1  0.195  0.737  0.642  1.0
  Br  Br8  1  0.639  0.530  0.717  1.0
  Br  Br9  1  0.254  0.080  0.456  1.0
  Br  Br10  1  0.805  0.263  0.358  1.0
  Br  Br11  1  0.552  0.176  0.920  1.0
  Br  Br12  1  0.746  0.920  0.544  1.0
  Br  Br13  1  0.903  0.626  0.168  1.0
  Br  Br14  1  0.361  0.470  0.283  1.0
  Br  Br15  1  0.097  0.374  0.832  1.0
  Br  Br16  1  0.448  0.824  0.080  1.0
[/CIF]
.