The compound described by La3RuBr3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Ru(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing LaRu2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Ru(1) is bonded to six equivalent La(1) atoms to form edge-sharing RuLa6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3RuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.577
_cell_length_b   10.577
_cell_length_c   10.577
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   910.798
_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
  La  La0  1  0.266  0.750  0.234  1.0
  La  La1  1  0.484  0.750  0.016  1.0
  La  La2  1  0.234  0.469  0.484  1.0
  La  La3  1  0.016  0.031  0.266  1.0
  La  La4  1  0.234  0.266  0.750  1.0
  La  La5  1  0.016  0.484  0.750  1.0
  La  La6  1  0.484  0.234  0.469  1.0
  La  La7  1  0.266  0.016  0.031  1.0
  La  La8  1  0.750  0.234  0.266  1.0
  La  La9  1  0.750  0.016  0.484  1.0
  La  La10  1  0.469  0.484  0.234  1.0
  La  La11  1  0.031  0.266  0.016  1.0
  Ru  Ru12  1  0.500  0.000  0.250  1.0
  Ru  Ru13  1  0.250  0.500  0.000  1.0
  Ru  Ru14  1  0.000  0.250  0.500  1.0
  Ru  Ru15  1  0.250  0.250  0.250  1.0
  Br  Br16  1  0.250  0.993  0.507  1.0
  Br  Br17  1  0.514  0.507  0.757  1.0
  Br  Br18  1  0.250  0.757  0.743  1.0
  Br  Br19  1  0.986  0.743  0.993  1.0
  Br  Br20  1  0.993  0.507  0.250  1.0
  Br  Br21  1  0.743  0.993  0.986  1.0
  Br  Br22  1  0.757  0.743  0.250  1.0
  Br  Br23  1  0.507  0.757  0.514  1.0
  Br  Br24  1  0.507  0.250  0.993  1.0
  Br  Br25  1  0.757  0.514  0.507  1.0
  Br  Br26  1  0.743  0.250  0.757  1.0
  Br  Br27  1  0.993  0.986  0.743  1.0
[/CIF]
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The compound described by La3RuBr3 crystallizes in the cubic I4_132 space group. La(1) is bonded to two equivalent Ru(1) and four equivalent Br(1) atoms to form a mixture of corner and edge-sharing LaRu2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Ru(1) is bonded to six equivalent La(1) atoms to form edge-sharing RuLa6 octahedra. Br(1) is bonded in a rectangular see-saw-like geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3RuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.577
_cell_length_b   10.577
_cell_length_c   10.577
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   910.798
_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
  La  La0  1  0.266  0.750  0.234  1.0
  La  La1  1  0.484  0.750  0.016  1.0
  La  La2  1  0.234  0.469  0.484  1.0
  La  La3  1  0.016  0.031  0.266  1.0
  La  La4  1  0.234  0.266  0.750  1.0
  La  La5  1  0.016  0.484  0.750  1.0
  La  La6  1  0.484  0.234  0.469  1.0
  La  La7  1  0.266  0.016  0.031  1.0
  La  La8  1  0.750  0.234  0.266  1.0
  La  La9  1  0.750  0.016  0.484  1.0
  La  La10  1  0.469  0.484  0.234  1.0
  La  La11  1  0.031  0.266  0.016  1.0
  Ru  Ru12  1  0.500  0.000  0.250  1.0
  Ru  Ru13  1  0.250  0.500  0.000  1.0
  Ru  Ru14  1  0.000  0.250  0.500  1.0
  Ru  Ru15  1  0.250  0.250  0.250  1.0
  Br  Br16  1  0.250  0.993  0.507  1.0
  Br  Br17  1  0.514  0.507  0.757  1.0
  Br  Br18  1  0.250  0.757  0.743  1.0
  Br  Br19  1  0.986  0.743  0.993  1.0
  Br  Br20  1  0.993  0.507  0.250  1.0
  Br  Br21  1  0.743  0.993  0.986  1.0
  Br  Br22  1  0.757  0.743  0.250  1.0
  Br  Br23  1  0.507  0.757  0.514  1.0
  Br  Br24  1  0.507  0.250  0.993  1.0
  Br  Br25  1  0.757  0.514  0.507  1.0
  Br  Br26  1  0.743  0.250  0.757  1.0
  Br  Br27  1  0.993  0.986  0.743  1.0
[/CIF]
.