The compound described by Mg5Sc is Magnesium-derived structured and crystallizes in the trigonal R32 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2); six Mg(1,1); and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the third Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with six equivalent Sc(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra; faces with four equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra. In the fourth Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. Sc(1) is bonded to six Mg(1,1,1) and six equivalent Mg(2) atoms to form ScMg12 cuboctahedra that share corners with six equivalent Sc(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Sc(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra; faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.172
_cell_length_b   6.172
_cell_length_c   6.172
_cell_angle_alpha   52.695
_cell_angle_beta   52.695
_cell_angle_gamma   52.695
_symmetry_Int_Tables_number   1
_cell_volume   137.764
_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
  Mg  Mg0  1  0.338  0.000  0.662  1.0
  Mg  Mg1  1  0.662  0.338  0.000  1.0
  Mg  Mg2  1  0.000  0.662  0.338  1.0
  Mg  Mg3  1  0.165  0.165  0.165  1.0
  Mg  Mg4  1  0.835  0.835  0.835  1.0
  Sc  Sc5  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Mg5Sc is Magnesium-derived structured and crystallizes in the trigonal R32 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2); six Mg(1,1); and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the third Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1); and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with six equivalent Sc(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra; faces with four equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra. In the fourth Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. Sc(1) is bonded to six Mg(1,1,1) and six equivalent Mg(2) atoms to form ScMg12 cuboctahedra that share corners with six equivalent Sc(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Sc(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra; faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1,1)Mg10Sc2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.172
_cell_length_b   6.172
_cell_length_c   6.172
_cell_angle_alpha   52.695
_cell_angle_beta   52.695
_cell_angle_gamma   52.695
_symmetry_Int_Tables_number   1
_cell_volume   137.764
_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
  Mg  Mg0  1  0.338  0.000  0.662  1.0
  Mg  Mg1  1  0.662  0.338  0.000  1.0
  Mg  Mg2  1  0.000  0.662  0.338  1.0
  Mg  Mg3  1  0.165  0.165  0.165  1.0
  Mg  Mg4  1  0.835  0.835  0.835  1.0
  Sc  Sc5  1  0.500  0.500  0.500  1.0
[/CIF]
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