The structure described by La9B3C6I5 crystallizes in the orthorhombic Pmmn space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent B(2), two equivalent C(1), two equivalent C(2), one I(1), and two equivalent I(2) atoms. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent C(2) and three equivalent I(1) atoms. In the third La site, La(3) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent C(3), two equivalent I(2), and two equivalent I(3) atoms. In the fourth La site, La(4) is bonded in a 3-coordinate geometry to one C(3), two equivalent C(1), one I(1), and two equivalent I(2) atoms. In the fifth La site, La(5) is bonded in a 3-coordinate geometry to one C(1), two equivalent C(3), one I(2), and two equivalent I(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 150 degrees geometry to two equivalent La(3) and two equivalent C(3) atoms. In the second B site, B(2) is bonded in a bent 150 degrees geometry to two equivalent La(1), one C(1), and one C(2) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one La(5), two equivalent La(1), two equivalent La(4), and one B(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one B(2) atom. In the third C site, C(3) is bonded in a 1-coordinate geometry to one La(4), two equivalent La(3), two equivalent La(5), and one B(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded to one La(1), one La(4), and three equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing ILa5 trigonal bipyramids. In the second I site, I(2) is bonded in a 6-coordinate geometry to one La(3), one La(5), two equivalent La(1), and two equivalent La(4) atoms. In the third I site, I(3) is bonded in a 6-coordinate geometry to two equivalent La(3) and four equivalent La(5) atoms. is represented by the CIF card [CIF]
data_La9B3C6I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   8.308
_cell_length_c   33.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1119.737
_cell_formula_units_Z   2
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  0.500  0.923  0.845  1.0
  La  La1  1  0.500  0.184  0.759  1.0
  La  La2  1  0.000  0.816  0.741  1.0
  La  La3  1  0.000  0.435  0.000  1.0
  La  La4  1  0.000  0.077  0.345  1.0
  La  La5  1  0.000  0.663  0.616  1.0
  La  La6  1  0.500  0.946  0.444  1.0
  La  La7  1  0.000  0.054  0.056  1.0
  La  La8  1  0.500  0.337  0.884  1.0
  La  La9  1  0.500  0.946  0.556  1.0
  La  La10  1  0.000  0.054  0.944  1.0
  La  La11  1  0.000  0.663  0.384  1.0
  La  La12  1  0.000  0.077  0.655  1.0
  La  La13  1  0.000  0.816  0.259  1.0
  La  La14  1  0.500  0.565  0.500  1.0
  La  La15  1  0.500  0.337  0.116  1.0
  La  La16  1  0.500  0.184  0.241  1.0
  La  La17  1  0.500  0.923  0.155  1.0
  B  B18  1  0.000  0.778  0.500  1.0
  B  B19  1  0.500  0.870  0.670  1.0
  B  B20  1  0.500  0.222  0.000  1.0
  B  B21  1  0.000  0.130  0.170  1.0
  B  B22  1  0.000  0.130  0.830  1.0
  B  B23  1  0.500  0.870  0.330  1.0
  C  C24  1  0.500  0.867  0.374  1.0
  C  C25  1  0.500  0.970  0.707  1.0
  C  C26  1  0.000  0.030  0.207  1.0
  C  C27  1  0.500  0.264  0.043  1.0
  C  C28  1  0.000  0.736  0.543  1.0
  C  C29  1  0.000  0.030  0.793  1.0
  C  C30  1  0.500  0.264  0.957  1.0
  C  C31  1  0.500  0.970  0.293  1.0
  C  C32  1  0.000  0.133  0.874  1.0
  C  C33  1  0.500  0.867  0.626  1.0
  C  C34  1  0.000  0.133  0.126  1.0
  C  C35  1  0.000  0.736  0.457  1.0
  I  I36  1  0.000  0.430  0.701  1.0
  I  I37  1  0.500  0.330  0.403  1.0
  I  I38  1  0.000  0.670  0.903  1.0
  I  I39  1  0.000  0.670  0.097  1.0
  I  I40  1  0.500  0.570  0.201  1.0
  I  I41  1  0.000  0.208  0.500  1.0
  I  I42  1  0.500  0.330  0.597  1.0
  I  I43  1  0.500  0.792  0.000  1.0
  I  I44  1  0.000  0.430  0.299  1.0
  I  I45  1  0.500  0.570  0.799  1.0
[/CIF]
.
The structure described by La9B3C6I5 crystallizes in the orthorhombic Pmmn space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent B(2), two equivalent C(1), two equivalent C(2), one I(1), and two equivalent I(2) atoms. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent C(2) and three equivalent I(1) atoms. In the third La site, La(3) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent C(3), two equivalent I(2), and two equivalent I(3) atoms. In the fourth La site, La(4) is bonded in a 3-coordinate geometry to one C(3), two equivalent C(1), one I(1), and two equivalent I(2) atoms. In the fifth La site, La(5) is bonded in a 3-coordinate geometry to one C(1), two equivalent C(3), one I(2), and two equivalent I(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 150 degrees geometry to two equivalent La(3) and two equivalent C(3) atoms. In the second B site, B(2) is bonded in a bent 150 degrees geometry to two equivalent La(1), one C(1), and one C(2) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one La(5), two equivalent La(1), two equivalent La(4), and one B(2) atom. In the second C site, C(2) is bonded in a 6-coordinate geometry to two equivalent La(1), three equivalent La(2), and one B(2) atom. In the third C site, C(3) is bonded in a 1-coordinate geometry to one La(4), two equivalent La(3), two equivalent La(5), and one B(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded to one La(1), one La(4), and three equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing ILa5 trigonal bipyramids. In the second I site, I(2) is bonded in a 6-coordinate geometry to one La(3), one La(5), two equivalent La(1), and two equivalent La(4) atoms. In the third I site, I(3) is bonded in a 6-coordinate geometry to two equivalent La(3) and four equivalent La(5) atoms. is represented by the CIF card [CIF]
data_La9B3C6I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   8.308
_cell_length_c   33.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1119.737
_cell_formula_units_Z   2
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  0.500  0.923  0.845  1.0
  La  La1  1  0.500  0.184  0.759  1.0
  La  La2  1  0.000  0.816  0.741  1.0
  La  La3  1  0.000  0.435  0.000  1.0
  La  La4  1  0.000  0.077  0.345  1.0
  La  La5  1  0.000  0.663  0.616  1.0
  La  La6  1  0.500  0.946  0.444  1.0
  La  La7  1  0.000  0.054  0.056  1.0
  La  La8  1  0.500  0.337  0.884  1.0
  La  La9  1  0.500  0.946  0.556  1.0
  La  La10  1  0.000  0.054  0.944  1.0
  La  La11  1  0.000  0.663  0.384  1.0
  La  La12  1  0.000  0.077  0.655  1.0
  La  La13  1  0.000  0.816  0.259  1.0
  La  La14  1  0.500  0.565  0.500  1.0
  La  La15  1  0.500  0.337  0.116  1.0
  La  La16  1  0.500  0.184  0.241  1.0
  La  La17  1  0.500  0.923  0.155  1.0
  B  B18  1  0.000  0.778  0.500  1.0
  B  B19  1  0.500  0.870  0.670  1.0
  B  B20  1  0.500  0.222  0.000  1.0
  B  B21  1  0.000  0.130  0.170  1.0
  B  B22  1  0.000  0.130  0.830  1.0
  B  B23  1  0.500  0.870  0.330  1.0
  C  C24  1  0.500  0.867  0.374  1.0
  C  C25  1  0.500  0.970  0.707  1.0
  C  C26  1  0.000  0.030  0.207  1.0
  C  C27  1  0.500  0.264  0.043  1.0
  C  C28  1  0.000  0.736  0.543  1.0
  C  C29  1  0.000  0.030  0.793  1.0
  C  C30  1  0.500  0.264  0.957  1.0
  C  C31  1  0.500  0.970  0.293  1.0
  C  C32  1  0.000  0.133  0.874  1.0
  C  C33  1  0.500  0.867  0.626  1.0
  C  C34  1  0.000  0.133  0.126  1.0
  C  C35  1  0.000  0.736  0.457  1.0
  I  I36  1  0.000  0.430  0.701  1.0
  I  I37  1  0.500  0.330  0.403  1.0
  I  I38  1  0.000  0.670  0.903  1.0
  I  I39  1  0.000  0.670  0.097  1.0
  I  I40  1  0.500  0.570  0.201  1.0
  I  I41  1  0.000  0.208  0.500  1.0
  I  I42  1  0.500  0.330  0.597  1.0
  I  I43  1  0.500  0.792  0.000  1.0
  I  I44  1  0.000  0.430  0.299  1.0
  I  I45  1  0.500  0.570  0.799  1.0
[/CIF]
.