The compound described by La12Au3I13 crystallizes in the triclinic P1 space group. There are twelve inequivalent La sites. In the first La site, La(1) is bonded to one Au(2), one I(1), one I(13), one I(3), one I(8), and one I(9) atom to form LaAuI5 octahedra that share corners with two equivalent La(7)Au2I4 octahedra, corners with two equivalent La(11)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second La site, La(2) is bonded to one Au(2), one I(10), one I(13), one I(2), one I(4), and one I(6) atom to form LaAuI5 octahedra that share corners with two equivalent La(3)Au2I4 octahedra, corners with two equivalent La(9)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third La site, La(3) is bonded to one Au(1), one Au(2), one I(12), one I(4), one I(5), and one I(8) atom to form LaAu2I4 octahedra that share corners with two equivalent La(2)AuI5 octahedra, corners with two equivalent La(9)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth La site, La(4) is bonded to one Au(1), one Au(2), one I(11), one I(3), one I(6), and one I(7) atom to form LaAu2I4 octahedra that share corners with two equivalent La(5)Au2I4 octahedra, corners with two equivalent La(8)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth La site, La(5) is bonded to one Au(2), one Au(3), one I(12), one I(2), one I(7), and one I(9) atom to form LaAu2I4 octahedra that share corners with two equivalent La(4)Au2I4 octahedra, corners with two equivalent La(8)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth La site, La(6) is bonded to one Au(1), one Au(3), one I(10), one I(2), one I(3), and one I(8) atom to form LaAu2I4 octahedra that share corners with two equivalent La(10)AuI5 octahedra, corners with two equivalent La(12)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh La site, La(7) is bonded to one Au(2), one Au(3), one I(1), one I(10), one I(11), and one I(5) atom to form LaAu2I4 octahedra that share corners with two equivalent La(1)AuI5 octahedra, corners with two equivalent La(11)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth La site, La(8) is bonded to one Au(1), one Au(3), one I(1), one I(4), one I(6), and one I(9) atom to form LaAu2I4 octahedra that share corners with two equivalent La(4)Au2I4 octahedra, corners with two equivalent La(5)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth La site, La(9) is bonded to one Au(1), one I(1), one I(10), one I(12), one I(13), and one I(7) atom to form LaAuI5 octahedra that share corners with two equivalent La(3)Au2I4 octahedra, corners with two equivalent La(2)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth La site, La(10) is bonded to one Au(1), one I(11), one I(13), one I(2), one I(5), and one I(9) atom to form LaAuI5 octahedra that share corners with two equivalent La(6)Au2I4 octahedra, corners with two equivalent La(12)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the eleventh La site, La(11) is bonded to one Au(3), one I(11), one I(13), one I(4), one I(7), and one I(8) atom to form LaAuI5 octahedra that share corners with two equivalent La(7)Au2I4 octahedra, corners with two equivalent La(1)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the twelfth La site, La(12) is bonded to one Au(3), one I(12), one I(13), one I(3), one I(5), and one I(6) atom to form LaAuI5 octahedra that share corners with two equivalent La(6)Au2I4 octahedra, corners with two equivalent La(10)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded to one La(10), one La(3), one La(4), one La(6), one La(8), and one La(9) atom to form AuLa6 octahedra that share  an edgeedge with one Au(2)La6 octahedra,  an edgeedge with one Au(3)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. In the second Au site, Au(2) is bonded to one La(1), one La(2), one La(3), one La(4), one La(5), and one La(7) atom to form AuLa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(3)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. In the third Au site, Au(3) is bonded to one La(11), one La(12), one La(5), one La(6), one La(7), and one La(8) atom to form AuLa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(2)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. There are thirteen inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one La(1), one La(7), one La(8), and one La(9) atom. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one La(10), one La(2), one La(5), and one La(6) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one La(1), one La(12), one La(4), and one La(6) atom. In the fourth I site, I(4) is bonded in a rectangular see-saw-like geometry to one La(11), one La(2), one La(3), and one La(8) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to one La(10), one La(12), one La(3), and one La(7) atom. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one La(12), one La(2), one La(4), and one La(8) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one La(11), one La(4), one La(5), and one La(9) atom. In the eighth I site, I(8) is bonded in a rectangular see-saw-like geometry to one La(1), one La(11), one La(3), and one La(6) atom. In the ninth I site, I(9) is bonded in a rectangular see-saw-like geometry to one La(1), one La(10), one La(5), and one La(8) atom. In the tenth I site, I(10) is bonded in a rectangular see-saw-like geometry to one La(2), one La(6), one La(7), and one La(9) atom. In the eleventh I site, I(11) is bonded in a rectangular see-saw-like geometry to one La(10), one La(11), one La(4), and one La(7) atom. In the twelfth I site, I(12) is bonded in a rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one La(9) atom. In the thirteenth I site, I(13) is bonded to one La(1), one La(10), one La(11), one La(12), one La(2), and one La(9) atom to form ILa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(2)La6 octahedra, and  an edgeedge with one Au(3)La6 octahedra. is represented by the CIF card [CIF]
data_La12Au3I13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.118
_cell_length_b   11.125
_cell_length_c   11.123
_cell_angle_alpha   109.578
_cell_angle_beta   109.602
_cell_angle_gamma   109.598
_symmetry_Int_Tables_number   1
_cell_volume   1054.288
_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
  La  La0  1  0.483  0.729  0.741  1.0
  La  La1  1  0.259  0.271  0.517  1.0
  La  La2  1  0.265  0.736  0.000  1.0
  La  La3  1  0.482  0.518  1.000  1.0
  La  La4  1  0.000  0.482  0.518  1.0
  La  La5  1  0.735  1.000  0.265  1.0
  La  La6  1  1.000  0.264  0.735  1.0
  La  La7  1  0.518  0.000  0.482  1.0
  La  La8  1  0.730  0.742  0.483  1.0
  La  La9  1  0.270  0.517  0.258  1.0
  La  La10  1  0.517  0.258  0.270  1.0
  La  La11  1  0.741  0.483  0.729  1.0
  Au  Au12  1  0.500  0.749  0.251  1.0
  Au  Au13  1  0.250  0.500  0.750  1.0
  Au  Au14  1  0.749  0.250  0.500  1.0
  I  I15  1  0.758  0.007  0.767  1.0
  I  I16  1  0.994  0.242  0.233  1.0
  I  I17  1  0.767  0.758  0.007  1.0
  I  I18  1  0.233  0.993  0.242  1.0
  I  I19  1  0.989  0.501  0.011  1.0
  I  I20  1  0.500  0.240  0.760  1.0
  I  I21  1  0.760  0.500  0.241  1.0
  I  I22  1  0.500  0.011  0.989  1.0
  I  I23  1  0.240  0.759  0.500  1.0
  I  I24  1  0.011  0.989  0.500  1.0
  I  I25  1  0.242  0.233  0.994  1.0
  I  I26  1  0.006  0.767  0.758  1.0
  I  I27  1  0.500  0.500  0.499  1.0
[/CIF]
.
The compound described by La12Au3I13 crystallizes in the triclinic P1 space group. There are twelve inequivalent La sites. In the first La site, La(1) is bonded to one Au(2), one I(1), one I(13), one I(3), one I(8), and one I(9) atom to form LaAuI5 octahedra that share corners with two equivalent La(7)Au2I4 octahedra, corners with two equivalent La(11)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second La site, La(2) is bonded to one Au(2), one I(10), one I(13), one I(2), one I(4), and one I(6) atom to form LaAuI5 octahedra that share corners with two equivalent La(3)Au2I4 octahedra, corners with two equivalent La(9)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third La site, La(3) is bonded to one Au(1), one Au(2), one I(12), one I(4), one I(5), and one I(8) atom to form LaAu2I4 octahedra that share corners with two equivalent La(2)AuI5 octahedra, corners with two equivalent La(9)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the fourth La site, La(4) is bonded to one Au(1), one Au(2), one I(11), one I(3), one I(6), and one I(7) atom to form LaAu2I4 octahedra that share corners with two equivalent La(5)Au2I4 octahedra, corners with two equivalent La(8)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth La site, La(5) is bonded to one Au(2), one Au(3), one I(12), one I(2), one I(7), and one I(9) atom to form LaAu2I4 octahedra that share corners with two equivalent La(4)Au2I4 octahedra, corners with two equivalent La(8)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth La site, La(6) is bonded to one Au(1), one Au(3), one I(10), one I(2), one I(3), and one I(8) atom to form LaAu2I4 octahedra that share corners with two equivalent La(10)AuI5 octahedra, corners with two equivalent La(12)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh La site, La(7) is bonded to one Au(2), one Au(3), one I(1), one I(10), one I(11), and one I(5) atom to form LaAu2I4 octahedra that share corners with two equivalent La(1)AuI5 octahedra, corners with two equivalent La(11)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth La site, La(8) is bonded to one Au(1), one Au(3), one I(1), one I(4), one I(6), and one I(9) atom to form LaAu2I4 octahedra that share corners with two equivalent La(4)Au2I4 octahedra, corners with two equivalent La(5)Au2I4 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth La site, La(9) is bonded to one Au(1), one I(1), one I(10), one I(12), one I(13), and one I(7) atom to form LaAuI5 octahedra that share corners with two equivalent La(3)Au2I4 octahedra, corners with two equivalent La(2)AuI5 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra, and  an edgeedge with one La(12)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth La site, La(10) is bonded to one Au(1), one I(11), one I(13), one I(2), one I(5), and one I(9) atom to form LaAuI5 octahedra that share corners with two equivalent La(6)Au2I4 octahedra, corners with two equivalent La(12)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the eleventh La site, La(11) is bonded to one Au(3), one I(11), one I(13), one I(4), one I(7), and one I(8) atom to form LaAuI5 octahedra that share corners with two equivalent La(7)Au2I4 octahedra, corners with two equivalent La(1)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(6)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(10)AuI5 octahedra,  an edgeedge with one La(12)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the twelfth La site, La(12) is bonded to one Au(3), one I(12), one I(13), one I(3), one I(5), and one I(6) atom to form LaAuI5 octahedra that share corners with two equivalent La(6)Au2I4 octahedra, corners with two equivalent La(10)AuI5 octahedra,  an edgeedge with one La(3)Au2I4 octahedra,  an edgeedge with one La(4)Au2I4 octahedra,  an edgeedge with one La(5)Au2I4 octahedra,  an edgeedge with one La(7)Au2I4 octahedra,  an edgeedge with one La(8)Au2I4 octahedra,  an edgeedge with one La(1)AuI5 octahedra,  an edgeedge with one La(11)AuI5 octahedra,  an edgeedge with one La(2)AuI5 octahedra, and  an edgeedge with one La(9)AuI5 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded to one La(10), one La(3), one La(4), one La(6), one La(8), and one La(9) atom to form AuLa6 octahedra that share  an edgeedge with one Au(2)La6 octahedra,  an edgeedge with one Au(3)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. In the second Au site, Au(2) is bonded to one La(1), one La(2), one La(3), one La(4), one La(5), and one La(7) atom to form AuLa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(3)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. In the third Au site, Au(3) is bonded to one La(11), one La(12), one La(5), one La(6), one La(7), and one La(8) atom to form AuLa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(2)La6 octahedra, and  an edgeedge with one I(13)La6 octahedra. There are thirteen inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to one La(1), one La(7), one La(8), and one La(9) atom. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one La(10), one La(2), one La(5), and one La(6) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one La(1), one La(12), one La(4), and one La(6) atom. In the fourth I site, I(4) is bonded in a rectangular see-saw-like geometry to one La(11), one La(2), one La(3), and one La(8) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to one La(10), one La(12), one La(3), and one La(7) atom. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one La(12), one La(2), one La(4), and one La(8) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one La(11), one La(4), one La(5), and one La(9) atom. In the eighth I site, I(8) is bonded in a rectangular see-saw-like geometry to one La(1), one La(11), one La(3), and one La(6) atom. In the ninth I site, I(9) is bonded in a rectangular see-saw-like geometry to one La(1), one La(10), one La(5), and one La(8) atom. In the tenth I site, I(10) is bonded in a rectangular see-saw-like geometry to one La(2), one La(6), one La(7), and one La(9) atom. In the eleventh I site, I(11) is bonded in a rectangular see-saw-like geometry to one La(10), one La(11), one La(4), and one La(7) atom. In the twelfth I site, I(12) is bonded in a rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one La(9) atom. In the thirteenth I site, I(13) is bonded to one La(1), one La(10), one La(11), one La(12), one La(2), and one La(9) atom to form ILa6 octahedra that share  an edgeedge with one Au(1)La6 octahedra,  an edgeedge with one Au(2)La6 octahedra, and  an edgeedge with one Au(3)La6 octahedra. is represented by the CIF card [CIF]
data_La12Au3I13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.118
_cell_length_b   11.125
_cell_length_c   11.123
_cell_angle_alpha   109.578
_cell_angle_beta   109.602
_cell_angle_gamma   109.598
_symmetry_Int_Tables_number   1
_cell_volume   1054.288
_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
  La  La0  1  0.483  0.729  0.741  1.0
  La  La1  1  0.259  0.271  0.517  1.0
  La  La2  1  0.265  0.736  0.000  1.0
  La  La3  1  0.482  0.518  1.000  1.0
  La  La4  1  0.000  0.482  0.518  1.0
  La  La5  1  0.735  1.000  0.265  1.0
  La  La6  1  1.000  0.264  0.735  1.0
  La  La7  1  0.518  0.000  0.482  1.0
  La  La8  1  0.730  0.742  0.483  1.0
  La  La9  1  0.270  0.517  0.258  1.0
  La  La10  1  0.517  0.258  0.270  1.0
  La  La11  1  0.741  0.483  0.729  1.0
  Au  Au12  1  0.500  0.749  0.251  1.0
  Au  Au13  1  0.250  0.500  0.750  1.0
  Au  Au14  1  0.749  0.250  0.500  1.0
  I  I15  1  0.758  0.007  0.767  1.0
  I  I16  1  0.994  0.242  0.233  1.0
  I  I17  1  0.767  0.758  0.007  1.0
  I  I18  1  0.233  0.993  0.242  1.0
  I  I19  1  0.989  0.501  0.011  1.0
  I  I20  1  0.500  0.240  0.760  1.0
  I  I21  1  0.760  0.500  0.241  1.0
  I  I22  1  0.500  0.011  0.989  1.0
  I  I23  1  0.240  0.759  0.500  1.0
  I  I24  1  0.011  0.989  0.500  1.0
  I  I25  1  0.242  0.233  0.994  1.0
  I  I26  1  0.006  0.767  0.758  1.0
  I  I27  1  0.500  0.500  0.499  1.0
[/CIF]
.