The compound described by La5Mg41 crystallizes in the tetragonal I4/m space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(5) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(6), two equivalent Mg(8), and two equivalent La(2) atoms to form a mixture of distorted corner and face-sharing MgLa2Mg10 cuboctahedra. In the second Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(8), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(6), and two equivalent La(2) atoms. In the third Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(4), two equivalent Mg(6), two equivalent Mg(8), four equivalent Mg(2), one La(1), and one La(2) atom. In the fourth Mg site, Mg(2) is bonded in a distorted q6 geometry to one Mg(2), one Mg(3), one Mg(5), one Mg(8), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(6), one La(1), and one La(2) atom. In the fifth Mg site, Mg(7) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(4) atoms. In the sixth Mg site, Mg(8) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent La(2) atoms to form a mixture of corner and face-sharing MgLa2Mg10 cuboctahedra. In the seventh Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), four equivalent Mg(6), and one La(2) atom. In the eighth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(2), two equivalent Mg(4), one La(1), and two equivalent La(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(2), and eight equivalent Mg(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(8), four equivalent Mg(4), and four equivalent Mg(6) atoms. is represented by the CIF card [CIF]
data_La5Mg41
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.699
_cell_length_b   11.699
_cell_length_c   11.699
_cell_angle_alpha   101.556
_cell_angle_beta   101.556
_cell_angle_gamma   126.823
_symmetry_Int_Tables_number   1
_cell_volume   1146.082
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.571  0.237  0.808  1.0
  La  La2  1  0.429  0.763  0.192  1.0
  La  La3  1  0.237  0.429  0.666  1.0
  La  La4  1  0.763  0.571  0.334  1.0
  Mg  Mg5  1  0.779  0.122  0.901  1.0
  Mg  Mg6  1  0.221  0.878  0.099  1.0
  Mg  Mg7  1  0.122  0.221  0.343  1.0
  Mg  Mg8  1  0.878  0.779  0.657  1.0
  Mg  Mg9  1  0.792  0.080  0.166  1.0
  Mg  Mg10  1  0.208  0.920  0.834  1.0
  Mg  Mg11  1  0.914  0.626  0.834  1.0
  Mg  Mg12  1  0.080  0.914  0.288  1.0
  Mg  Mg13  1  0.086  0.374  0.166  1.0
  Mg  Mg14  1  0.920  0.086  0.712  1.0
  Mg  Mg15  1  0.626  0.792  0.712  1.0
  Mg  Mg16  1  0.374  0.208  0.288  1.0
  Mg  Mg17  1  0.990  0.402  0.392  1.0
  Mg  Mg18  1  0.010  0.598  0.608  1.0
  Mg  Mg19  1  0.402  0.010  0.412  1.0
  Mg  Mg20  1  0.598  0.990  0.588  1.0
  Mg  Mg21  1  0.554  0.767  0.941  1.0
  Mg  Mg22  1  0.446  0.233  0.059  1.0
  Mg  Mg23  1  0.827  0.614  0.059  1.0
  Mg  Mg24  1  0.767  0.827  0.213  1.0
  Mg  Mg25  1  0.173  0.386  0.941  1.0
  Mg  Mg26  1  0.233  0.173  0.787  1.0
  Mg  Mg27  1  0.614  0.554  0.787  1.0
  Mg  Mg28  1  0.386  0.446  0.213  1.0
  Mg  Mg29  1  0.783  0.341  0.124  1.0
  Mg  Mg30  1  0.217  0.659  0.876  1.0
  Mg  Mg31  1  0.341  0.217  0.558  1.0
  Mg  Mg32  1  0.659  0.783  0.442  1.0
  Mg  Mg33  1  0.374  0.818  0.709  1.0
  Mg  Mg34  1  0.626  0.182  0.291  1.0
  Mg  Mg35  1  0.108  0.665  0.291  1.0
  Mg  Mg36  1  0.818  0.108  0.444  1.0
  Mg  Mg37  1  0.892  0.335  0.709  1.0
  Mg  Mg38  1  0.182  0.892  0.556  1.0
  Mg  Mg39  1  0.665  0.374  0.556  1.0
  Mg  Mg40  1  0.335  0.626  0.444  1.0
  Mg  Mg41  1  0.500  0.500  0.000  1.0
  Mg  Mg42  1  0.500  0.000  0.000  1.0
  Mg  Mg43  1  0.000  0.500  0.000  1.0
  Mg  Mg44  1  0.000  0.000  0.500  1.0
  Mg  Mg45  1  0.500  0.500  0.500  1.0
[/CIF]
.
The compound described by La5Mg41 crystallizes in the tetragonal I4/m space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(5) is bonded to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(6), two equivalent Mg(8), and two equivalent La(2) atoms to form a mixture of distorted corner and face-sharing MgLa2Mg10 cuboctahedra. In the second Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(8), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(6), and two equivalent La(2) atoms. In the third Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(5), two equivalent Mg(4), two equivalent Mg(6), two equivalent Mg(8), four equivalent Mg(2), one La(1), and one La(2) atom. In the fourth Mg site, Mg(2) is bonded in a distorted q6 geometry to one Mg(2), one Mg(3), one Mg(5), one Mg(8), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(6), one La(1), and one La(2) atom. In the fifth Mg site, Mg(7) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(4) atoms. In the sixth Mg site, Mg(8) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent La(2) atoms to form a mixture of corner and face-sharing MgLa2Mg10 cuboctahedra. In the seventh Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), four equivalent Mg(6), and one La(2) atom. In the eighth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(2), two equivalent Mg(4), one La(1), and two equivalent La(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(2), and eight equivalent Mg(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to one Mg(1), one Mg(3), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(8), four equivalent Mg(4), and four equivalent Mg(6) atoms. is represented by the CIF card [CIF]
data_La5Mg41
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.699
_cell_length_b   11.699
_cell_length_c   11.699
_cell_angle_alpha   101.556
_cell_angle_beta   101.556
_cell_angle_gamma   126.823
_symmetry_Int_Tables_number   1
_cell_volume   1146.082
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.571  0.237  0.808  1.0
  La  La2  1  0.429  0.763  0.192  1.0
  La  La3  1  0.237  0.429  0.666  1.0
  La  La4  1  0.763  0.571  0.334  1.0
  Mg  Mg5  1  0.779  0.122  0.901  1.0
  Mg  Mg6  1  0.221  0.878  0.099  1.0
  Mg  Mg7  1  0.122  0.221  0.343  1.0
  Mg  Mg8  1  0.878  0.779  0.657  1.0
  Mg  Mg9  1  0.792  0.080  0.166  1.0
  Mg  Mg10  1  0.208  0.920  0.834  1.0
  Mg  Mg11  1  0.914  0.626  0.834  1.0
  Mg  Mg12  1  0.080  0.914  0.288  1.0
  Mg  Mg13  1  0.086  0.374  0.166  1.0
  Mg  Mg14  1  0.920  0.086  0.712  1.0
  Mg  Mg15  1  0.626  0.792  0.712  1.0
  Mg  Mg16  1  0.374  0.208  0.288  1.0
  Mg  Mg17  1  0.990  0.402  0.392  1.0
  Mg  Mg18  1  0.010  0.598  0.608  1.0
  Mg  Mg19  1  0.402  0.010  0.412  1.0
  Mg  Mg20  1  0.598  0.990  0.588  1.0
  Mg  Mg21  1  0.554  0.767  0.941  1.0
  Mg  Mg22  1  0.446  0.233  0.059  1.0
  Mg  Mg23  1  0.827  0.614  0.059  1.0
  Mg  Mg24  1  0.767  0.827  0.213  1.0
  Mg  Mg25  1  0.173  0.386  0.941  1.0
  Mg  Mg26  1  0.233  0.173  0.787  1.0
  Mg  Mg27  1  0.614  0.554  0.787  1.0
  Mg  Mg28  1  0.386  0.446  0.213  1.0
  Mg  Mg29  1  0.783  0.341  0.124  1.0
  Mg  Mg30  1  0.217  0.659  0.876  1.0
  Mg  Mg31  1  0.341  0.217  0.558  1.0
  Mg  Mg32  1  0.659  0.783  0.442  1.0
  Mg  Mg33  1  0.374  0.818  0.709  1.0
  Mg  Mg34  1  0.626  0.182  0.291  1.0
  Mg  Mg35  1  0.108  0.665  0.291  1.0
  Mg  Mg36  1  0.818  0.108  0.444  1.0
  Mg  Mg37  1  0.892  0.335  0.709  1.0
  Mg  Mg38  1  0.182  0.892  0.556  1.0
  Mg  Mg39  1  0.665  0.374  0.556  1.0
  Mg  Mg40  1  0.335  0.626  0.444  1.0
  Mg  Mg41  1  0.500  0.500  0.000  1.0
  Mg  Mg42  1  0.500  0.000  0.000  1.0
  Mg  Mg43  1  0.000  0.500  0.000  1.0
  Mg  Mg44  1  0.000  0.000  0.500  1.0
  Mg  Mg45  1  0.500  0.500  0.500  1.0
[/CIF]
.