The structure described by MgLaI5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one I(1), one I(3), one I(4), and one I(5) atom to form MgI4 tetrahedra that share corners with four equivalent La(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. La(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form LaI6 octahedra that share corners with two equivalent La(1)I6 octahedra and corners with four equivalent Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. 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 150 degrees geometry to two equivalent La(1) atoms. In the third I site, I(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. is represented by the CIF card [CIF]
data_LaMgI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.303
_cell_length_b   7.858
_cell_length_c   11.876
_cell_angle_alpha   74.494
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1376.142
_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  0.746  0.158  0.875  1.0
  La  La1  1  0.754  0.658  0.375  1.0
  La  La2  1  0.246  0.342  0.625  1.0
  La  La3  1  0.254  0.842  0.125  1.0
  Mg  Mg4  1  0.049  0.787  0.773  1.0
  Mg  Mg5  1  0.549  0.713  0.727  1.0
  Mg  Mg6  1  0.451  0.287  0.273  1.0
  Mg  Mg7  1  0.951  0.213  0.227  1.0
  I  I8  1  0.065  0.475  0.705  1.0
  I  I9  1  0.797  0.432  0.634  1.0
  I  I10  1  0.375  0.613  0.697  1.0
  I  I11  1  0.893  0.327  0.999  1.0
  I  I12  1  0.625  0.474  0.913  1.0
  I  I13  1  0.435  0.975  0.205  1.0
  I  I14  1  0.703  0.932  0.134  1.0
  I  I15  1  0.125  0.113  0.197  1.0
  I  I16  1  0.607  0.827  0.499  1.0
  I  I17  1  0.875  0.974  0.413  1.0
  I  I18  1  0.125  0.026  0.587  1.0
  I  I19  1  0.393  0.173  0.501  1.0
  I  I20  1  0.875  0.887  0.803  1.0
  I  I21  1  0.297  0.068  0.866  1.0
  I  I22  1  0.565  0.025  0.795  1.0
  I  I23  1  0.375  0.526  0.087  1.0
  I  I24  1  0.107  0.673  0.001  1.0
  I  I25  1  0.625  0.387  0.303  1.0
  I  I26  1  0.203  0.568  0.366  1.0
  I  I27  1  0.935  0.525  0.295  1.0
[/CIF]
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The structure described by MgLaI5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one I(1), one I(3), one I(4), and one I(5) atom to form MgI4 tetrahedra that share corners with four equivalent La(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. La(1) is bonded to one I(1), one I(3), one I(4), one I(5), and two equivalent I(2) atoms to form LaI6 octahedra that share corners with two equivalent La(1)I6 octahedra and corners with four equivalent Mg(1)I4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. 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 150 degrees geometry to two equivalent La(1) atoms. In the third I site, I(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one La(1) atom. In the fourth I site, I(4) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. In the fifth I site, I(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one La(1) atom. is represented by the CIF card [CIF]
data_LaMgI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.303
_cell_length_b   7.858
_cell_length_c   11.876
_cell_angle_alpha   74.494
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1376.142
_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  0.746  0.158  0.875  1.0
  La  La1  1  0.754  0.658  0.375  1.0
  La  La2  1  0.246  0.342  0.625  1.0
  La  La3  1  0.254  0.842  0.125  1.0
  Mg  Mg4  1  0.049  0.787  0.773  1.0
  Mg  Mg5  1  0.549  0.713  0.727  1.0
  Mg  Mg6  1  0.451  0.287  0.273  1.0
  Mg  Mg7  1  0.951  0.213  0.227  1.0
  I  I8  1  0.065  0.475  0.705  1.0
  I  I9  1  0.797  0.432  0.634  1.0
  I  I10  1  0.375  0.613  0.697  1.0
  I  I11  1  0.893  0.327  0.999  1.0
  I  I12  1  0.625  0.474  0.913  1.0
  I  I13  1  0.435  0.975  0.205  1.0
  I  I14  1  0.703  0.932  0.134  1.0
  I  I15  1  0.125  0.113  0.197  1.0
  I  I16  1  0.607  0.827  0.499  1.0
  I  I17  1  0.875  0.974  0.413  1.0
  I  I18  1  0.125  0.026  0.587  1.0
  I  I19  1  0.393  0.173  0.501  1.0
  I  I20  1  0.875  0.887  0.803  1.0
  I  I21  1  0.297  0.068  0.866  1.0
  I  I22  1  0.565  0.025  0.795  1.0
  I  I23  1  0.375  0.526  0.087  1.0
  I  I24  1  0.107  0.673  0.001  1.0
  I  I25  1  0.625  0.387  0.303  1.0
  I  I26  1  0.203  0.568  0.366  1.0
  I  I27  1  0.935  0.525  0.295  1.0
[/CIF]
.