The crystal structure described by Mg23La6Si crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(3), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with four equivalent Mg(2)La4Mg8 cuboctahedra, edges with two equivalent Si(1)La6 octahedra, and faces with eight equivalent Mg(2)La4Mg8 cuboctahedra. In the second Mg site, Mg(3) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the fourth Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. La(1) is bonded in a distorted single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one Si(1) atom. Si(1) is bonded to six equivalent La(1) atoms to form SiLa6 octahedra that share edges with twelve equivalent Mg(2)La4Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_La6Mg23Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.352
_cell_length_b   10.352
_cell_length_c   10.352
_cell_angle_alpha   59.996
_cell_angle_beta   59.998
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   784.391
_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  0.706  0.294  0.294  1.0
  La  La1  1  0.294  0.706  0.706  1.0
  La  La2  1  0.294  0.706  0.294  1.0
  La  La3  1  0.706  0.294  0.706  1.0
  La  La4  1  0.294  0.294  0.706  1.0
  La  La5  1  0.706  0.706  0.294  1.0
  Mg  Mg6  1  0.123  0.123  0.123  1.0
  Mg  Mg7  1  0.877  0.877  0.877  1.0
  Mg  Mg8  1  0.123  0.123  0.632  1.0
  Mg  Mg9  1  0.123  0.632  0.123  1.0
  Mg  Mg10  1  0.877  0.877  0.368  1.0
  Mg  Mg11  1  0.877  0.368  0.877  1.0
  Mg  Mg12  1  0.632  0.123  0.123  1.0
  Mg  Mg13  1  0.368  0.877  0.877  1.0
  Mg  Mg14  1  0.500  0.000  1.000  1.0
  Mg  Mg15  1  1.000  0.500  0.500  1.0
  Mg  Mg16  1  1.000  0.500  0.000  1.0
  Mg  Mg17  1  0.500  0.000  0.500  1.0
  Mg  Mg18  1  1.000  0.000  0.500  1.0
  Mg  Mg19  1  0.500  0.500  1.000  1.0
  Mg  Mg20  1  0.328  0.328  0.328  1.0
  Mg  Mg21  1  0.672  0.672  0.672  1.0
  Mg  Mg22  1  0.328  0.328  0.017  1.0
  Mg  Mg23  1  0.328  0.017  0.328  1.0
  Mg  Mg24  1  0.672  0.672  0.983  1.0
  Mg  Mg25  1  0.672  0.983  0.672  1.0
  Mg  Mg26  1  0.017  0.328  0.328  1.0
  Mg  Mg27  1  0.983  0.672  0.672  1.0
  Mg  Mg28  1  1.000  0.000  1.000  1.0
  Si  Si29  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Mg23La6Si crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(3), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with four equivalent Mg(2)La4Mg8 cuboctahedra, edges with two equivalent Si(1)La6 octahedra, and faces with eight equivalent Mg(2)La4Mg8 cuboctahedra. In the second Mg site, Mg(3) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the fourth Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. La(1) is bonded in a distorted single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one Si(1) atom. Si(1) is bonded to six equivalent La(1) atoms to form SiLa6 octahedra that share edges with twelve equivalent Mg(2)La4Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_La6Mg23Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.352
_cell_length_b   10.352
_cell_length_c   10.352
_cell_angle_alpha   59.996
_cell_angle_beta   59.998
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   784.391
_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  0.706  0.294  0.294  1.0
  La  La1  1  0.294  0.706  0.706  1.0
  La  La2  1  0.294  0.706  0.294  1.0
  La  La3  1  0.706  0.294  0.706  1.0
  La  La4  1  0.294  0.294  0.706  1.0
  La  La5  1  0.706  0.706  0.294  1.0
  Mg  Mg6  1  0.123  0.123  0.123  1.0
  Mg  Mg7  1  0.877  0.877  0.877  1.0
  Mg  Mg8  1  0.123  0.123  0.632  1.0
  Mg  Mg9  1  0.123  0.632  0.123  1.0
  Mg  Mg10  1  0.877  0.877  0.368  1.0
  Mg  Mg11  1  0.877  0.368  0.877  1.0
  Mg  Mg12  1  0.632  0.123  0.123  1.0
  Mg  Mg13  1  0.368  0.877  0.877  1.0
  Mg  Mg14  1  0.500  0.000  1.000  1.0
  Mg  Mg15  1  1.000  0.500  0.500  1.0
  Mg  Mg16  1  1.000  0.500  0.000  1.0
  Mg  Mg17  1  0.500  0.000  0.500  1.0
  Mg  Mg18  1  1.000  0.000  0.500  1.0
  Mg  Mg19  1  0.500  0.500  1.000  1.0
  Mg  Mg20  1  0.328  0.328  0.328  1.0
  Mg  Mg21  1  0.672  0.672  0.672  1.0
  Mg  Mg22  1  0.328  0.328  0.017  1.0
  Mg  Mg23  1  0.328  0.017  0.328  1.0
  Mg  Mg24  1  0.672  0.672  0.983  1.0
  Mg  Mg25  1  0.672  0.983  0.672  1.0
  Mg  Mg26  1  0.017  0.328  0.328  1.0
  Mg  Mg27  1  0.983  0.672  0.672  1.0
  Mg  Mg28  1  1.000  0.000  1.000  1.0
  Si  Si29  1  0.500  0.500  0.500  1.0
[/CIF]
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