The crystal structure described by MgLaI5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one I(1), one I(2), and two equivalent I(5) atoms to form MgI4 tetrahedra that share corners with two equivalent La(1)I6 octahedra and  an edgeedge with one Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-62°. La(1) is bonded to one I(1), one I(2), two equivalent I(3), and two equivalent I(4) atoms to form LaI6 octahedra that share corners with four equivalent La(1)I6 octahedra and corners with two equivalent Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-25°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the second I site, I(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the third I site, I(3) is bonded in a linear geometry to two equivalent La(1) atoms. In the fourth I site, I(4) is bonded in a bent 150 degrees geometry to two equivalent La(1) atoms. In the fifth I site, I(5) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.294
_cell_length_b   10.962
_cell_length_c   12.613
_cell_angle_alpha   77.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1661.873
_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  0.261  0.511  0.753  1.0
  La  La1  1  0.761  0.489  0.747  1.0
  La  La2  1  0.239  0.511  0.253  1.0
  La  La3  1  0.739  0.489  0.247  1.0
  Mg  Mg4  1  0.504  0.125  0.885  1.0
  Mg  Mg5  1  0.996  0.125  0.385  1.0
  Mg  Mg6  1  0.004  0.875  0.615  1.0
  Mg  Mg7  1  0.496  0.875  0.115  1.0
  I  I8  1  0.309  0.218  0.795  1.0
  I  I9  1  0.703  0.199  0.792  1.0
  I  I10  1  0.783  0.481  1.000  1.0
  I  I11  1  0.013  0.445  0.732  1.0
  I  I12  1  0.494  0.869  0.898  1.0
  I  I13  1  0.994  0.131  0.602  1.0
  I  I14  1  0.513  0.555  0.768  1.0
  I  I15  1  0.191  0.218  0.295  1.0
  I  I16  1  0.283  0.519  0.500  1.0
  I  I17  1  0.797  0.199  0.292  1.0
  I  I18  1  0.203  0.801  0.708  1.0
  I  I19  1  0.717  0.481  0.500  1.0
  I  I20  1  0.809  0.782  0.705  1.0
  I  I21  1  0.487  0.445  0.232  1.0
  I  I22  1  0.006  0.869  0.398  1.0
  I  I23  1  0.506  0.131  0.102  1.0
  I  I24  1  0.987  0.555  0.268  1.0
  I  I25  1  0.217  0.519  0.000  1.0
  I  I26  1  0.297  0.801  0.208  1.0
  I  I27  1  0.691  0.782  0.205  1.0
[/CIF]
.
The crystal structure described by MgLaI5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one I(1), one I(2), and two equivalent I(5) atoms to form MgI4 tetrahedra that share corners with two equivalent La(1)I6 octahedra and  an edgeedge with one Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-62°. La(1) is bonded to one I(1), one I(2), two equivalent I(3), and two equivalent I(4) atoms to form LaI6 octahedra that share corners with four equivalent La(1)I6 octahedra and corners with two equivalent Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-25°. There are five inequivalent I sites. In the first I site, I(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the second I site, I(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the third I site, I(3) is bonded in a linear geometry to two equivalent La(1) atoms. In the fourth I site, I(4) is bonded in a bent 150 degrees geometry to two equivalent La(1) atoms. In the fifth I site, I(5) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.294
_cell_length_b   10.962
_cell_length_c   12.613
_cell_angle_alpha   77.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1661.873
_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  0.261  0.511  0.753  1.0
  La  La1  1  0.761  0.489  0.747  1.0
  La  La2  1  0.239  0.511  0.253  1.0
  La  La3  1  0.739  0.489  0.247  1.0
  Mg  Mg4  1  0.504  0.125  0.885  1.0
  Mg  Mg5  1  0.996  0.125  0.385  1.0
  Mg  Mg6  1  0.004  0.875  0.615  1.0
  Mg  Mg7  1  0.496  0.875  0.115  1.0
  I  I8  1  0.309  0.218  0.795  1.0
  I  I9  1  0.703  0.199  0.792  1.0
  I  I10  1  0.783  0.481  1.000  1.0
  I  I11  1  0.013  0.445  0.732  1.0
  I  I12  1  0.494  0.869  0.898  1.0
  I  I13  1  0.994  0.131  0.602  1.0
  I  I14  1  0.513  0.555  0.768  1.0
  I  I15  1  0.191  0.218  0.295  1.0
  I  I16  1  0.283  0.519  0.500  1.0
  I  I17  1  0.797  0.199  0.292  1.0
  I  I18  1  0.203  0.801  0.708  1.0
  I  I19  1  0.717  0.481  0.500  1.0
  I  I20  1  0.809  0.782  0.705  1.0
  I  I21  1  0.487  0.445  0.232  1.0
  I  I22  1  0.006  0.869  0.398  1.0
  I  I23  1  0.506  0.131  0.102  1.0
  I  I24  1  0.987  0.555  0.268  1.0
  I  I25  1  0.217  0.519  0.000  1.0
  I  I26  1  0.297  0.801  0.208  1.0
  I  I27  1  0.691  0.782  0.205  1.0
[/CIF]
.