The material structure described by Mg2B24C crystallizes in the tetragonal P-4n2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to four equivalent B(2), four equivalent B(3), four equivalent B(5), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to four equivalent B(1) and four equivalent B(6) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Mg(2), one B(1), one B(3), one B(4), one B(6), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Mg(1), one B(3), one B(4), two equivalent B(5), and two equivalent B(6) atoms. In the third B site, B(3) is bonded in a distorted single-bond geometry to one Mg(1), one B(1), one B(2), one B(4), one B(5), one B(6), and one C(1) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one B(6) atom. In the fifth B site, B(5) is bonded in a 7-coordinate geometry to one Mg(1), one B(3), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Mg(2), one B(1), one B(3), one B(4), one B(6), and two equivalent B(2) atoms. C(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Mg2B24C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.948
_cell_length_b   8.948
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.543
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.750  1.0
  Mg  Mg3  1  0.500  0.000  0.250  1.0
  B  B4  1  0.599  0.806  0.083  1.0
  B  B5  1  0.759  0.078  0.915  1.0
  B  B6  1  0.616  0.372  0.876  1.0
  B  B7  1  0.752  0.735  0.915  1.0
  B  B8  1  0.252  0.765  0.415  1.0
  B  B9  1  0.401  0.194  0.083  1.0
  B  B10  1  0.265  0.752  0.085  1.0
  B  B11  1  0.731  0.407  0.587  1.0
  B  B12  1  0.922  0.759  0.085  1.0
  B  B13  1  0.325  0.920  0.599  1.0
  B  B14  1  0.241  0.922  0.915  1.0
  B  B15  1  0.907  0.231  0.913  1.0
  B  B16  1  0.735  0.248  0.085  1.0
  B  B17  1  0.384  0.628  0.876  1.0
  B  B18  1  0.078  0.241  0.085  1.0
  B  B19  1  0.422  0.741  0.585  1.0
  B  B20  1  0.901  0.306  0.583  1.0
  B  B21  1  0.235  0.252  0.585  1.0
  B  B22  1  0.116  0.128  0.376  1.0
  B  B23  1  0.806  0.401  0.917  1.0
  B  B24  1  0.628  0.616  0.124  1.0
  B  B25  1  0.769  0.907  0.087  1.0
  B  B26  1  0.748  0.235  0.415  1.0
  B  B27  1  0.741  0.578  0.415  1.0
  B  B28  1  0.093  0.769  0.913  1.0
  B  B29  1  0.259  0.422  0.415  1.0
  B  B30  1  0.407  0.269  0.413  1.0
  B  B31  1  0.248  0.265  0.915  1.0
  B  B32  1  0.884  0.872  0.376  1.0
  B  B33  1  0.580  0.175  0.901  1.0
  B  B34  1  0.420  0.825  0.901  1.0
  B  B35  1  0.694  0.901  0.417  1.0
  B  B36  1  0.578  0.259  0.585  1.0
  B  B37  1  0.872  0.116  0.624  1.0
  B  B38  1  0.306  0.099  0.417  1.0
  B  B39  1  0.593  0.731  0.413  1.0
  B  B40  1  0.080  0.325  0.401  1.0
  B  B41  1  0.372  0.384  0.124  1.0
  B  B42  1  0.920  0.675  0.401  1.0
  B  B43  1  0.269  0.593  0.587  1.0
  B  B44  1  0.099  0.694  0.583  1.0
  B  B45  1  0.194  0.599  0.917  1.0
  B  B46  1  0.765  0.748  0.585  1.0
  B  B47  1  0.231  0.093  0.087  1.0
  B  B48  1  0.175  0.420  0.099  1.0
  B  B49  1  0.128  0.884  0.624  1.0
  B  B50  1  0.825  0.580  0.099  1.0
  B  B51  1  0.675  0.080  0.599  1.0
  C  C52  1  0.000  0.000  0.500  1.0
  C  C53  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Mg2B24C crystallizes in the tetragonal P-4n2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to four equivalent B(2), four equivalent B(3), four equivalent B(5), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to four equivalent B(1) and four equivalent B(6) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Mg(2), one B(1), one B(3), one B(4), one B(6), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Mg(1), one B(3), one B(4), two equivalent B(5), and two equivalent B(6) atoms. In the third B site, B(3) is bonded in a distorted single-bond geometry to one Mg(1), one B(1), one B(2), one B(4), one B(5), one B(6), and one C(1) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(1), one B(2), one B(3), one B(4), one B(5), and one B(6) atom. In the fifth B site, B(5) is bonded in a 7-coordinate geometry to one Mg(1), one B(3), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Mg(2), one B(1), one B(3), one B(4), one B(6), and two equivalent B(2) atoms. C(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Mg2B24C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.948
_cell_length_b   8.948
_cell_length_c   5.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.543
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.750  1.0
  Mg  Mg3  1  0.500  0.000  0.250  1.0
  B  B4  1  0.599  0.806  0.083  1.0
  B  B5  1  0.759  0.078  0.915  1.0
  B  B6  1  0.616  0.372  0.876  1.0
  B  B7  1  0.752  0.735  0.915  1.0
  B  B8  1  0.252  0.765  0.415  1.0
  B  B9  1  0.401  0.194  0.083  1.0
  B  B10  1  0.265  0.752  0.085  1.0
  B  B11  1  0.731  0.407  0.587  1.0
  B  B12  1  0.922  0.759  0.085  1.0
  B  B13  1  0.325  0.920  0.599  1.0
  B  B14  1  0.241  0.922  0.915  1.0
  B  B15  1  0.907  0.231  0.913  1.0
  B  B16  1  0.735  0.248  0.085  1.0
  B  B17  1  0.384  0.628  0.876  1.0
  B  B18  1  0.078  0.241  0.085  1.0
  B  B19  1  0.422  0.741  0.585  1.0
  B  B20  1  0.901  0.306  0.583  1.0
  B  B21  1  0.235  0.252  0.585  1.0
  B  B22  1  0.116  0.128  0.376  1.0
  B  B23  1  0.806  0.401  0.917  1.0
  B  B24  1  0.628  0.616  0.124  1.0
  B  B25  1  0.769  0.907  0.087  1.0
  B  B26  1  0.748  0.235  0.415  1.0
  B  B27  1  0.741  0.578  0.415  1.0
  B  B28  1  0.093  0.769  0.913  1.0
  B  B29  1  0.259  0.422  0.415  1.0
  B  B30  1  0.407  0.269  0.413  1.0
  B  B31  1  0.248  0.265  0.915  1.0
  B  B32  1  0.884  0.872  0.376  1.0
  B  B33  1  0.580  0.175  0.901  1.0
  B  B34  1  0.420  0.825  0.901  1.0
  B  B35  1  0.694  0.901  0.417  1.0
  B  B36  1  0.578  0.259  0.585  1.0
  B  B37  1  0.872  0.116  0.624  1.0
  B  B38  1  0.306  0.099  0.417  1.0
  B  B39  1  0.593  0.731  0.413  1.0
  B  B40  1  0.080  0.325  0.401  1.0
  B  B41  1  0.372  0.384  0.124  1.0
  B  B42  1  0.920  0.675  0.401  1.0
  B  B43  1  0.269  0.593  0.587  1.0
  B  B44  1  0.099  0.694  0.583  1.0
  B  B45  1  0.194  0.599  0.917  1.0
  B  B46  1  0.765  0.748  0.585  1.0
  B  B47  1  0.231  0.093  0.087  1.0
  B  B48  1  0.175  0.420  0.099  1.0
  B  B49  1  0.128  0.884  0.624  1.0
  B  B50  1  0.825  0.580  0.099  1.0
  B  B51  1  0.675  0.080  0.599  1.0
  C  C52  1  0.000  0.000  0.500  1.0
  C  C53  1  0.500  0.500  0.000  1.0
[/CIF]
.