The compound described by Ce5Mg41 crystallizes in the tetragonal I4/m space group. There are eight inequivalent Mg sites. In the first 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 Ce(1) atoms to form a mixture of face and corner-sharing MgCe2Mg10 cuboctahedra. In the second Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(6), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(8), four equivalent Mg(5), one Ce(1), and one Ce(2) atom. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(6), one Mg(8), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(7), and two equivalent Ce(1) atoms. In the fourth Mg site, Mg(3) is bonded in a body-centered cubic geometry to eight equivalent Mg(4) atoms. In the fifth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(6), one Mg(8), two equivalent Mg(4), two equivalent Mg(5), one Ce(2), and two equivalent Ce(1) atoms. In the sixth Mg site, Mg(5) is bonded in a distorted q6 geometry to one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), one Ce(1), and one Ce(2) atom. In the seventh Mg site, Mg(6) is bonded to one Mg(1), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(8), and two equivalent Ce(1) atoms to form a mixture of distorted face and corner-sharing MgCe2Mg10 cuboctahedra. In the eighth Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(6), one Mg(7), two equivalent Mg(5), four equivalent Mg(2), and one Ce(1) atom. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to one Mg(1), one Mg(7), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), four equivalent Mg(2), and four equivalent Mg(4) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(4), and eight equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5Mg41
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.429
_cell_length_b   11.713
_cell_length_c   11.713
_cell_angle_alpha   78.568
_cell_angle_beta   63.564
_cell_angle_gamma   63.564
_symmetry_Int_Tables_number   1
_cell_volume   1147.209
_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
  Ce  Ce0  1  0.429  0.808  0.334  1.0
  Ce  Ce1  1  0.571  0.192  0.666  1.0
  Ce  Ce2  1  0.763  0.666  0.808  1.0
  Ce  Ce3  1  0.237  0.334  0.192  1.0
  Ce  Ce4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.878  0.343  0.900  1.0
  Mg  Mg6  1  0.374  0.291  0.444  1.0
  Mg  Mg7  1  0.500  0.000  0.000  1.0
  Mg  Mg8  1  0.446  0.941  0.787  1.0
  Mg  Mg9  1  0.626  0.709  0.556  1.0
  Mg  Mg10  1  0.182  0.444  0.709  1.0
  Mg  Mg11  1  0.174  0.059  0.213  1.0
  Mg  Mg12  1  0.666  0.444  0.709  1.0
  Mg  Mg13  1  0.080  0.712  0.834  1.0
  Mg  Mg14  1  0.086  0.834  0.288  1.0
  Mg  Mg15  1  0.914  0.166  0.712  1.0
  Mg  Mg16  1  0.217  0.124  0.442  1.0
  Mg  Mg17  1  0.010  0.394  0.587  1.0
  Mg  Mg18  1  0.222  0.900  0.657  1.0
  Mg  Mg19  1  0.783  0.876  0.558  1.0
  Mg  Mg20  1  0.597  0.413  0.394  1.0
  Mg  Mg21  1  0.403  0.587  0.606  1.0
  Mg  Mg22  1  0.208  0.166  0.712  1.0
  Mg  Mg23  1  0.626  0.288  0.166  1.0
  Mg  Mg24  1  0.766  0.787  0.059  1.0
  Mg  Mg25  1  0.109  0.709  0.556  1.0
  Mg  Mg26  1  0.374  0.712  0.834  1.0
  Mg  Mg27  1  0.792  0.834  0.288  1.0
  Mg  Mg28  1  0.778  0.100  0.343  1.0
  Mg  Mg29  1  0.000  0.000  0.500  1.0
  Mg  Mg30  1  0.826  0.941  0.787  1.0
  Mg  Mg31  1  0.920  0.288  0.166  1.0
  Mg  Mg32  1  0.990  0.606  0.413  1.0
  Mg  Mg33  1  0.000  0.500  0.000  1.0
  Mg  Mg34  1  0.341  0.442  0.876  1.0
  Mg  Mg35  1  0.613  0.213  0.941  1.0
  Mg  Mg36  1  0.818  0.556  0.291  1.0
  Mg  Mg37  1  0.891  0.291  0.444  1.0
  Mg  Mg38  1  0.122  0.657  0.100  1.0
  Mg  Mg39  1  0.234  0.213  0.941  1.0
  Mg  Mg40  1  0.334  0.556  0.291  1.0
  Mg  Mg41  1  0.500  0.500  0.000  1.0
  Mg  Mg42  1  0.387  0.787  0.059  1.0
  Mg  Mg43  1  0.554  0.059  0.213  1.0
  Mg  Mg44  1  0.500  0.000  0.500  1.0
  Mg  Mg45  1  0.659  0.558  0.124  1.0
[/CIF]
.
The compound described by Ce5Mg41 crystallizes in the tetragonal I4/m space group. There are eight inequivalent Mg sites. In the first 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 Ce(1) atoms to form a mixture of face and corner-sharing MgCe2Mg10 cuboctahedra. In the second Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(6), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(8), four equivalent Mg(5), one Ce(1), and one Ce(2) atom. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(4), one Mg(6), one Mg(8), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(7), and two equivalent Ce(1) atoms. In the fourth Mg site, Mg(3) is bonded in a body-centered cubic geometry to eight equivalent Mg(4) atoms. In the fifth Mg site, Mg(4) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(6), one Mg(8), two equivalent Mg(4), two equivalent Mg(5), one Ce(2), and two equivalent Ce(1) atoms. In the sixth Mg site, Mg(5) is bonded in a distorted q6 geometry to one Mg(5), one Mg(6), one Mg(7), one Mg(8), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), one Ce(1), and one Ce(2) atom. In the seventh Mg site, Mg(6) is bonded to one Mg(1), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(8), and two equivalent Ce(1) atoms to form a mixture of distorted face and corner-sharing MgCe2Mg10 cuboctahedra. In the eighth Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(6), one Mg(7), two equivalent Mg(5), four equivalent Mg(2), and one Ce(1) atom. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 16-coordinate geometry to one Mg(1), one Mg(7), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), four equivalent Mg(2), and four equivalent Mg(4) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(4), and eight equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5Mg41
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.429
_cell_length_b   11.713
_cell_length_c   11.713
_cell_angle_alpha   78.568
_cell_angle_beta   63.564
_cell_angle_gamma   63.564
_symmetry_Int_Tables_number   1
_cell_volume   1147.209
_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
  Ce  Ce0  1  0.429  0.808  0.334  1.0
  Ce  Ce1  1  0.571  0.192  0.666  1.0
  Ce  Ce2  1  0.763  0.666  0.808  1.0
  Ce  Ce3  1  0.237  0.334  0.192  1.0
  Ce  Ce4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.878  0.343  0.900  1.0
  Mg  Mg6  1  0.374  0.291  0.444  1.0
  Mg  Mg7  1  0.500  0.000  0.000  1.0
  Mg  Mg8  1  0.446  0.941  0.787  1.0
  Mg  Mg9  1  0.626  0.709  0.556  1.0
  Mg  Mg10  1  0.182  0.444  0.709  1.0
  Mg  Mg11  1  0.174  0.059  0.213  1.0
  Mg  Mg12  1  0.666  0.444  0.709  1.0
  Mg  Mg13  1  0.080  0.712  0.834  1.0
  Mg  Mg14  1  0.086  0.834  0.288  1.0
  Mg  Mg15  1  0.914  0.166  0.712  1.0
  Mg  Mg16  1  0.217  0.124  0.442  1.0
  Mg  Mg17  1  0.010  0.394  0.587  1.0
  Mg  Mg18  1  0.222  0.900  0.657  1.0
  Mg  Mg19  1  0.783  0.876  0.558  1.0
  Mg  Mg20  1  0.597  0.413  0.394  1.0
  Mg  Mg21  1  0.403  0.587  0.606  1.0
  Mg  Mg22  1  0.208  0.166  0.712  1.0
  Mg  Mg23  1  0.626  0.288  0.166  1.0
  Mg  Mg24  1  0.766  0.787  0.059  1.0
  Mg  Mg25  1  0.109  0.709  0.556  1.0
  Mg  Mg26  1  0.374  0.712  0.834  1.0
  Mg  Mg27  1  0.792  0.834  0.288  1.0
  Mg  Mg28  1  0.778  0.100  0.343  1.0
  Mg  Mg29  1  0.000  0.000  0.500  1.0
  Mg  Mg30  1  0.826  0.941  0.787  1.0
  Mg  Mg31  1  0.920  0.288  0.166  1.0
  Mg  Mg32  1  0.990  0.606  0.413  1.0
  Mg  Mg33  1  0.000  0.500  0.000  1.0
  Mg  Mg34  1  0.341  0.442  0.876  1.0
  Mg  Mg35  1  0.613  0.213  0.941  1.0
  Mg  Mg36  1  0.818  0.556  0.291  1.0
  Mg  Mg37  1  0.891  0.291  0.444  1.0
  Mg  Mg38  1  0.122  0.657  0.100  1.0
  Mg  Mg39  1  0.234  0.213  0.941  1.0
  Mg  Mg40  1  0.334  0.556  0.291  1.0
  Mg  Mg41  1  0.500  0.500  0.000  1.0
  Mg  Mg42  1  0.387  0.787  0.059  1.0
  Mg  Mg43  1  0.554  0.059  0.213  1.0
  Mg  Mg44  1  0.500  0.000  0.500  1.0
  Mg  Mg45  1  0.659  0.558  0.124  1.0
[/CIF]
.