The structure described by La4B4I5 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded to two equivalent B(1), two equivalent B(3), one I(1), one I(3), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaB4I4 hexagonal bipyramids. In the second La site, La(2) is bonded to two equivalent B(1), two equivalent B(2), one I(2), one I(4), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaB4I4 hexagonal bipyramids. In the third La site, La(3) is bonded in a 9-coordinate geometry to one B(2), one B(3), two equivalent B(1), one I(3), two equivalent I(1), and two equivalent I(4) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one B(2), one B(3), two equivalent B(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one La(1), one La(2), one La(3), one La(4), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to one La(3), one La(4), two equivalent La(2), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one La(3), one La(4), two equivalent La(1), one B(2), and two equivalent B(1) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent La(3) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one La(2) and two equivalent La(4) atoms. In the third I site, I(3) is bonded in a distorted see-saw-like geometry to one La(1), one La(3), and two equivalent La(4) atoms. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one La(2), one La(4), and two equivalent La(3) atoms. In the fifth I site, I(5) is bonded in a square co-planar geometry to two equivalent La(1) and two equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La4B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.990
_cell_length_b   9.990
_cell_length_c   10.426
_cell_angle_alpha   73.551
_cell_angle_beta   73.551
_cell_angle_gamma   25.232
_symmetry_Int_Tables_number   1
_cell_volume   424.469
_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  0.507  0.507  0.751  1.0
  La  La1  1  0.495  0.495  0.248  1.0
  La  La2  1  0.135  0.135  0.933  1.0
  La  La3  1  0.866  0.866  0.066  1.0
  B  B4  1  0.316  0.685  0.999  1.0
  B  B5  1  0.685  0.316  0.999  1.0
  B  B6  1  0.999  0.999  0.092  1.0
  B  B7  1  0.002  0.002  0.907  1.0
  I  I8  1  0.682  0.682  0.684  1.0
  I  I9  1  0.320  0.320  0.315  1.0
  I  I10  1  0.328  0.328  0.852  1.0
  I  I11  1  0.673  0.673  0.146  1.0
  I  I12  1  0.004  0.004  0.498  1.0
[/CIF]
.
The structure described by La4B4I5 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded to two equivalent B(1), two equivalent B(3), one I(1), one I(3), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaB4I4 hexagonal bipyramids. In the second La site, La(2) is bonded to two equivalent B(1), two equivalent B(2), one I(2), one I(4), and two equivalent I(5) atoms to form a mixture of distorted edge and corner-sharing LaB4I4 hexagonal bipyramids. In the third La site, La(3) is bonded in a 9-coordinate geometry to one B(2), one B(3), two equivalent B(1), one I(3), two equivalent I(1), and two equivalent I(4) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one B(2), one B(3), two equivalent B(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one La(1), one La(2), one La(3), one La(4), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to one La(3), one La(4), two equivalent La(2), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one La(3), one La(4), two equivalent La(1), one B(2), and two equivalent B(1) atoms. There are five inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent La(3) atoms. In the second I site, I(2) is bonded in a distorted T-shaped geometry to one La(2) and two equivalent La(4) atoms. In the third I site, I(3) is bonded in a distorted see-saw-like geometry to one La(1), one La(3), and two equivalent La(4) atoms. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one La(2), one La(4), and two equivalent La(3) atoms. In the fifth I site, I(5) is bonded in a square co-planar geometry to two equivalent La(1) and two equivalent La(2) atoms. is represented by the CIF card [CIF]
data_La4B4I5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.990
_cell_length_b   9.990
_cell_length_c   10.426
_cell_angle_alpha   73.551
_cell_angle_beta   73.551
_cell_angle_gamma   25.232
_symmetry_Int_Tables_number   1
_cell_volume   424.469
_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  0.507  0.507  0.751  1.0
  La  La1  1  0.495  0.495  0.248  1.0
  La  La2  1  0.135  0.135  0.933  1.0
  La  La3  1  0.866  0.866  0.066  1.0
  B  B4  1  0.316  0.685  0.999  1.0
  B  B5  1  0.685  0.316  0.999  1.0
  B  B6  1  0.999  0.999  0.092  1.0
  B  B7  1  0.002  0.002  0.907  1.0
  I  I8  1  0.682  0.682  0.684  1.0
  I  I9  1  0.320  0.320  0.315  1.0
  I  I10  1  0.328  0.328  0.852  1.0
  I  I11  1  0.673  0.673  0.146  1.0
  I  I12  1  0.004  0.004  0.498  1.0
[/CIF]
.