The compound described by Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Sc(1) and six equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnSc6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Sc(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnSc6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_ScMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   8.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   203.541
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.333  0.667  0.066  1.0
  Sc  Sc1  1  0.667  0.333  0.566  1.0
  Sc  Sc2  1  0.667  0.333  0.934  1.0
  Sc  Sc3  1  0.333  0.667  0.434  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.829  0.658  0.250  1.0
  Mn  Mn7  1  0.171  0.829  0.750  1.0
  Mn  Mn8  1  0.658  0.829  0.750  1.0
  Mn  Mn9  1  0.342  0.171  0.250  1.0
  Mn  Mn10  1  0.829  0.171  0.250  1.0
  Mn  Mn11  1  0.171  0.342  0.750  1.0
[/CIF]
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The compound described by Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Sc(1) and six equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnSc6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Sc(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnSc6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_ScMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   8.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   203.541
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.333  0.667  0.066  1.0
  Sc  Sc1  1  0.667  0.333  0.566  1.0
  Sc  Sc2  1  0.667  0.333  0.934  1.0
  Sc  Sc3  1  0.333  0.667  0.434  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.829  0.658  0.250  1.0
  Mn  Mn7  1  0.171  0.829  0.750  1.0
  Mn  Mn8  1  0.658  0.829  0.750  1.0
  Mn  Mn9  1  0.342  0.171  0.250  1.0
  Mn  Mn10  1  0.829  0.171  0.250  1.0
  Mn  Mn11  1  0.171  0.342  0.750  1.0
[/CIF]
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