The material structure described by Mg2Sc is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Sc(1) atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with four equivalent Mg(1)Mg8Sc4 cuboctahedra, edges with five equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with nine equivalent Sc(1)Mg7Sc5 cuboctahedra, faces with six equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with six equivalent Sc(1)Mg7Sc5 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with five equivalent Mg(1)Mg8Sc4 cuboctahedra, edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with seven equivalent Sc(1)Mg7Sc5 cuboctahedra, faces with five equivalent Mg(2)Mg9Sc3 cuboctahedra, faces with seven equivalent Sc(1)Mg7Sc5 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Sc4 cuboctahedra. Sc(1) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Sc(1) atoms to form ScMg7Sc5 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with two equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with seven equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with nine equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with six equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with seven equivalent Mg(2)Mg9Sc3 cuboctahedra, and faces with seven equivalent Sc(1)Mg7Sc5 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   7.660
_cell_angle_alpha   75.827
_cell_angle_beta   75.827
_cell_angle_gamma   30.208
_symmetry_Int_Tables_number   1
_cell_volume   140.026
_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  0.028  0.028  0.694  1.0
  Mg  Mg1  1  0.306  0.306  0.641  1.0
  Mg  Mg2  1  0.694  0.694  0.359  1.0
  Mg  Mg3  1  0.972  0.972  0.306  1.0
  Sc  Sc4  1  0.362  0.362  0.027  1.0
  Sc  Sc5  1  0.638  0.638  0.973  1.0
[/CIF]
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The material structure described by Mg2Sc is Magnesium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(1), five equivalent Mg(2), and four equivalent Sc(1) atoms to form MgMg8Sc4 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with four equivalent Mg(1)Mg8Sc4 cuboctahedra, edges with five equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with nine equivalent Sc(1)Mg7Sc5 cuboctahedra, faces with six equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with six equivalent Sc(1)Mg7Sc5 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(2), five equivalent Mg(1), and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with five equivalent Mg(1)Mg8Sc4 cuboctahedra, edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with seven equivalent Sc(1)Mg7Sc5 cuboctahedra, faces with five equivalent Mg(2)Mg9Sc3 cuboctahedra, faces with seven equivalent Sc(1)Mg7Sc5 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Sc4 cuboctahedra. Sc(1) is bonded to three equivalent Mg(2), four equivalent Mg(1), and five equivalent Sc(1) atoms to form ScMg7Sc5 cuboctahedra that share corners with six equivalent Mg(1)Mg8Sc4 cuboctahedra, corners with six equivalent Mg(2)Mg9Sc3 cuboctahedra, corners with six equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with two equivalent Sc(1)Mg7Sc5 cuboctahedra, edges with seven equivalent Mg(2)Mg9Sc3 cuboctahedra, edges with nine equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with six equivalent Mg(1)Mg8Sc4 cuboctahedra, faces with seven equivalent Mg(2)Mg9Sc3 cuboctahedra, and faces with seven equivalent Sc(1)Mg7Sc5 cuboctahedra. is represented by the CIF file [CIF]
data_Mg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   7.660
_cell_angle_alpha   75.827
_cell_angle_beta   75.827
_cell_angle_gamma   30.208
_symmetry_Int_Tables_number   1
_cell_volume   140.026
_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  0.028  0.028  0.694  1.0
  Mg  Mg1  1  0.306  0.306  0.641  1.0
  Mg  Mg2  1  0.694  0.694  0.359  1.0
  Mg  Mg3  1  0.972  0.972  0.306  1.0
  Sc  Sc4  1  0.362  0.362  0.027  1.0
  Sc  Sc5  1  0.638  0.638  0.973  1.0
[/CIF]
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