The material structure described by ScC is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent C(1) atoms to form a mixture of corner, face, and edge-sharing ScC6 octahedra. The corner-sharing octahedral tilt angles are 46°. C(1) is bonded to six equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing CSc6 pentagonal pyramids. is represented by the CIF file [CIF]
data_ScC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.217
_cell_length_b   3.217
_cell_length_c   5.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   53.365
_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
  Sc  Sc0  1  0.000  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.333  0.667  0.250  1.0
  C  C3  1  0.667  0.333  0.750  1.0
[/CIF]
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The material structure described by ScC is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent C(1) atoms to form a mixture of corner, face, and edge-sharing ScC6 octahedra. The corner-sharing octahedral tilt angles are 46°. C(1) is bonded to six equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing CSc6 pentagonal pyramids. is represented by the CIF file [CIF]
data_ScC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.217
_cell_length_b   3.217
_cell_length_c   5.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   53.365
_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
  Sc  Sc0  1  0.000  0.000  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.333  0.667  0.250  1.0
  C  C3  1  0.667  0.333  0.750  1.0
[/CIF]
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