The compound described by MgSc3Ru2 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded to four equivalent Mg(1) and eight equivalent Sc(2) atoms to form a mixture of corner and face-sharing MgMg4Sc8 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(1) atoms. In the second Sc site, Sc(2) is bonded in a 4-coordinate geometry to four equivalent Mg(1) and four equivalent Ru(1) atoms. Ru(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.241
_cell_length_b   3.241
_cell_length_c   10.834
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.811
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.000  0.715  1.0
  Sc  Sc3  1  0.000  0.000  0.285  1.0
  Ru  Ru4  1  0.500  0.500  0.847  1.0
  Ru  Ru5  1  0.500  0.500  0.153  1.0
[/CIF]
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The compound described by MgSc3Ru2 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded to four equivalent Mg(1) and eight equivalent Sc(2) atoms to form a mixture of corner and face-sharing MgMg4Sc8 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a body-centered cubic geometry to eight equivalent Ru(1) atoms. In the second Sc site, Sc(2) is bonded in a 4-coordinate geometry to four equivalent Mg(1) and four equivalent Ru(1) atoms. Ru(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.241
_cell_length_b   3.241
_cell_length_c   10.834
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.811
_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  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.000  0.715  1.0
  Sc  Sc3  1  0.000  0.000  0.285  1.0
  Ru  Ru4  1  0.500  0.500  0.847  1.0
  Ru  Ru5  1  0.500  0.500  0.153  1.0
[/CIF]
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