The structure described by ScCrC2 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent C(1) atoms to form ScC6 octahedra that share corners with six equivalent C(1)Sc3Cr3C pentagonal bipyramids and edges with six equivalent Sc(1)C6 octahedra. Cr(1) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. C(1) is bonded to three equivalent Sc(1), three equivalent Cr(1), and one C(1) atom to form distorted CSc3Cr3C pentagonal bipyramids that share corners with three equivalent Sc(1)C6 octahedra, corners with nine equivalent C(1)Sc3Cr3C pentagonal bipyramids, edges with nine equivalent C(1)Sc3Cr3C pentagonal bipyramids, and  a faceface with one C(1)Sc3Cr3C pentagonal bipyramid. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScCrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.246
_cell_length_b   3.246
_cell_length_c   9.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.243
_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
  Cr  Cr2  1  0.333  0.667  0.250  1.0
  Cr  Cr3  1  0.667  0.333  0.750  1.0
  C  C4  1  0.333  0.667  0.834  1.0
  C  C5  1  0.667  0.333  0.334  1.0
  C  C6  1  0.333  0.667  0.666  1.0
  C  C7  1  0.667  0.333  0.166  1.0
[/CIF]
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The structure described by ScCrC2 crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to six equivalent C(1) atoms to form ScC6 octahedra that share corners with six equivalent C(1)Sc3Cr3C pentagonal bipyramids and edges with six equivalent Sc(1)C6 octahedra. Cr(1) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. C(1) is bonded to three equivalent Sc(1), three equivalent Cr(1), and one C(1) atom to form distorted CSc3Cr3C pentagonal bipyramids that share corners with three equivalent Sc(1)C6 octahedra, corners with nine equivalent C(1)Sc3Cr3C pentagonal bipyramids, edges with nine equivalent C(1)Sc3Cr3C pentagonal bipyramids, and  a faceface with one C(1)Sc3Cr3C pentagonal bipyramid. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScCrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.246
_cell_length_b   3.246
_cell_length_c   9.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.243
_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
  Cr  Cr2  1  0.333  0.667  0.250  1.0
  Cr  Cr3  1  0.667  0.333  0.750  1.0
  C  C4  1  0.333  0.667  0.834  1.0
  C  C5  1  0.667  0.333  0.334  1.0
  C  C6  1  0.333  0.667  0.666  1.0
  C  C7  1  0.667  0.333  0.166  1.0
[/CIF]
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