The structure described by MgSc3 is Magnesium-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Sc(2), and six equivalent Sc(1) atoms to form MgMg2Sc10 cuboctahedra that share corners with four equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with two equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Mg(1), three equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg3Sc9 cuboctahedra that share corners with eighteen equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with six equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Mg3Sc9 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg4Sc8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with fourteen equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with two equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. is represented by the CIF card [CIF]
data_MgSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   6.218
_cell_length_c   6.218
_cell_angle_alpha   149.583
_cell_angle_beta   126.204
_cell_angle_gamma   63.063
_symmetry_Int_Tables_number   1
_cell_volume   97.298
_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  0.168  0.500  0.668  1.0
  Sc  Sc1  1  0.761  0.756  0.005  1.0
  Sc  Sc2  1  0.249  0.244  0.005  1.0
  Sc  Sc3  1  0.655  0.000  0.655  1.0
[/CIF]
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The structure described by MgSc3 is Magnesium-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Sc(2), and six equivalent Sc(1) atoms to form MgMg2Sc10 cuboctahedra that share corners with four equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with two equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Mg(1), three equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg3Sc9 cuboctahedra that share corners with eighteen equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with six equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Mg3Sc9 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg4Sc8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with fourteen equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with two equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. is represented by the CIF card [CIF]
data_MgSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   6.218
_cell_length_c   6.218
_cell_angle_alpha   149.583
_cell_angle_beta   126.204
_cell_angle_gamma   63.063
_symmetry_Int_Tables_number   1
_cell_volume   97.298
_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  0.168  0.500  0.668  1.0
  Sc  Sc1  1  0.761  0.756  0.005  1.0
  Sc  Sc2  1  0.249  0.244  0.005  1.0
  Sc  Sc3  1  0.655  0.000  0.655  1.0
[/CIF]
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