The compound described by La3IrBr3 crystallizes in the monoclinic C2 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second La site, La(2) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third La site, La(3) is bonded to two equivalent Ir(2), one Br(1), one Br(2), one Br(5), and one Br(6) atom to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth La site, La(4) is bonded to two equivalent Ir(1), one Br(1), one Br(2), one Br(5), and one Br(6) atom to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth La site, La(5) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(5) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth La site, La(6) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(6) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one La(1), one La(2), one La(5), one La(6), and two equivalent La(4) atoms to form edge-sharing IrLa6 octahedra. In the second Ir site, Ir(2) is bonded to one La(1), one La(2), one La(5), one La(6), and two equivalent La(3) atoms to form edge-sharing IrLa6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(2) atoms. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one La(1), one La(2), one La(5), and one La(6) atom. In the fourth Br site, Br(4) is bonded in a rectangular see-saw-like geometry to one La(1), one La(2), one La(5), and one La(6) atom. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(5) atoms. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(6) atoms. is represented by the CIF file [CIF]
data_La3IrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.611
_cell_length_b   10.612
_cell_length_c   10.617
_cell_angle_alpha   109.488
_cell_angle_beta   109.077
_cell_angle_gamma   109.834
_symmetry_Int_Tables_number   1
_cell_volume   920.442
_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  0.267  0.751  0.233  1.0
  La  La1  1  0.483  0.748  0.016  1.0
  La  La2  1  0.233  0.467  0.484  1.0
  La  La3  1  0.017  0.034  0.267  1.0
  La  La4  1  0.235  0.266  0.751  1.0
  La  La5  1  0.015  0.484  0.749  1.0
  La  La6  1  0.485  0.234  0.469  1.0
  La  La7  1  0.265  0.016  0.031  1.0
  La  La8  1  0.748  0.233  0.264  1.0
  La  La9  1  0.752  0.017  0.484  1.0
  La  La10  1  0.468  0.483  0.236  1.0
  La  La11  1  0.032  0.268  0.016  1.0
  Ir  Ir12  1  0.500  0.000  0.250  1.0
  Ir  Ir13  1  0.250  0.500  1.000  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.251  0.250  0.250  1.0
  Br  Br16  1  0.249  0.994  0.505  1.0
  Br  Br17  1  0.511  0.506  0.755  1.0
  Br  Br18  1  0.251  0.756  0.745  1.0
  Br  Br19  1  0.989  0.744  0.995  1.0
  Br  Br20  1  0.995  0.506  0.251  1.0
  Br  Br21  1  0.745  0.994  0.990  1.0
  Br  Br22  1  0.755  0.744  0.249  1.0
  Br  Br23  1  0.505  0.755  0.510  1.0
  Br  Br24  1  0.506  0.250  0.995  1.0
  Br  Br25  1  0.756  0.512  0.505  1.0
  Br  Br26  1  0.745  0.249  0.756  1.0
  Br  Br27  1  0.994  0.989  0.744  1.0
[/CIF]
.
The compound described by La3IrBr3 crystallizes in the monoclinic C2 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second La site, La(2) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third La site, La(3) is bonded to two equivalent Ir(2), one Br(1), one Br(2), one Br(5), and one Br(6) atom to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth La site, La(4) is bonded to two equivalent Ir(1), one Br(1), one Br(2), one Br(5), and one Br(6) atom to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth La site, La(5) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(5) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth La site, La(6) is bonded to one Ir(1), one Ir(2), one Br(3), one Br(4), and two equivalent Br(6) atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one La(1), one La(2), one La(5), one La(6), and two equivalent La(4) atoms to form edge-sharing IrLa6 octahedra. In the second Ir site, Ir(2) is bonded to one La(1), one La(2), one La(5), one La(6), and two equivalent La(3) atoms to form edge-sharing IrLa6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(2) atoms. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one La(1), one La(2), one La(5), and one La(6) atom. In the fourth Br site, Br(4) is bonded in a rectangular see-saw-like geometry to one La(1), one La(2), one La(5), and one La(6) atom. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(5) atoms. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one La(3), one La(4), and two equivalent La(6) atoms. is represented by the CIF file [CIF]
data_La3IrBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.611
_cell_length_b   10.612
_cell_length_c   10.617
_cell_angle_alpha   109.488
_cell_angle_beta   109.077
_cell_angle_gamma   109.834
_symmetry_Int_Tables_number   1
_cell_volume   920.442
_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  0.267  0.751  0.233  1.0
  La  La1  1  0.483  0.748  0.016  1.0
  La  La2  1  0.233  0.467  0.484  1.0
  La  La3  1  0.017  0.034  0.267  1.0
  La  La4  1  0.235  0.266  0.751  1.0
  La  La5  1  0.015  0.484  0.749  1.0
  La  La6  1  0.485  0.234  0.469  1.0
  La  La7  1  0.265  0.016  0.031  1.0
  La  La8  1  0.748  0.233  0.264  1.0
  La  La9  1  0.752  0.017  0.484  1.0
  La  La10  1  0.468  0.483  0.236  1.0
  La  La11  1  0.032  0.268  0.016  1.0
  Ir  Ir12  1  0.500  0.000  0.250  1.0
  Ir  Ir13  1  0.250  0.500  1.000  1.0
  Ir  Ir14  1  1.000  0.250  0.500  1.0
  Ir  Ir15  1  0.251  0.250  0.250  1.0
  Br  Br16  1  0.249  0.994  0.505  1.0
  Br  Br17  1  0.511  0.506  0.755  1.0
  Br  Br18  1  0.251  0.756  0.745  1.0
  Br  Br19  1  0.989  0.744  0.995  1.0
  Br  Br20  1  0.995  0.506  0.251  1.0
  Br  Br21  1  0.745  0.994  0.990  1.0
  Br  Br22  1  0.755  0.744  0.249  1.0
  Br  Br23  1  0.505  0.755  0.510  1.0
  Br  Br24  1  0.506  0.250  0.995  1.0
  Br  Br25  1  0.756  0.512  0.505  1.0
  Br  Br26  1  0.745  0.249  0.756  1.0
  Br  Br27  1  0.994  0.989  0.744  1.0
[/CIF]
.