The compound described by ScAlOC crystallizes in the hexagonal P6_3mc space group. Sc(1) is bonded to three equivalent C(1) and three equivalent O(1) atoms to form ScC3O3 octahedra that share corners with six equivalent Al(1)C3O tetrahedra, edges with six equivalent Sc(1)C3O3 octahedra, and edges with three equivalent Al(1)C3O tetrahedra. Al(1) is bonded to three equivalent C(1) and one O(1) atom to form AlC3O tetrahedra that share corners with six equivalent Sc(1)C3O3 octahedra, corners with six equivalent Al(1)C3O tetrahedra, and edges with three equivalent Sc(1)C3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-60°. C(1) is bonded to three equivalent Sc(1) and three equivalent Al(1) atoms to form CSc3Al3 octahedra that share corners with six equivalent O(1)Sc3Al tetrahedra, edges with six equivalent C(1)Sc3Al3 octahedra, and edges with three equivalent O(1)Sc3Al tetrahedra. O(1) is bonded to three equivalent Sc(1) and one Al(1) atom to form distorted OSc3Al tetrahedra that share corners with six equivalent C(1)Sc3Al3 octahedra, corners with six equivalent O(1)Sc3Al tetrahedra, and edges with three equivalent C(1)Sc3Al3 octahedra. The corner-sharing octahedral tilt angles range from 7-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScAlCO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.241
_cell_length_b   3.241
_cell_length_c   10.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.530
_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  0.667  0.333  0.804  1.0
  Sc  Sc1  1  0.333  0.667  0.304  1.0
  Al  Al2  1  0.000  1.000  0.520  1.0
  Al  Al3  1  1.000  0.000  0.020  1.0
  C  C4  1  0.333  0.667  0.942  1.0
  C  C5  1  0.667  0.333  0.442  1.0
  O  O6  1  0.000  1.000  0.697  1.0
  O  O7  1  1.000  0.000  0.197  1.0
[/CIF]
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The compound described by ScAlOC crystallizes in the hexagonal P6_3mc space group. Sc(1) is bonded to three equivalent C(1) and three equivalent O(1) atoms to form ScC3O3 octahedra that share corners with six equivalent Al(1)C3O tetrahedra, edges with six equivalent Sc(1)C3O3 octahedra, and edges with three equivalent Al(1)C3O tetrahedra. Al(1) is bonded to three equivalent C(1) and one O(1) atom to form AlC3O tetrahedra that share corners with six equivalent Sc(1)C3O3 octahedra, corners with six equivalent Al(1)C3O tetrahedra, and edges with three equivalent Sc(1)C3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-60°. C(1) is bonded to three equivalent Sc(1) and three equivalent Al(1) atoms to form CSc3Al3 octahedra that share corners with six equivalent O(1)Sc3Al tetrahedra, edges with six equivalent C(1)Sc3Al3 octahedra, and edges with three equivalent O(1)Sc3Al tetrahedra. O(1) is bonded to three equivalent Sc(1) and one Al(1) atom to form distorted OSc3Al tetrahedra that share corners with six equivalent C(1)Sc3Al3 octahedra, corners with six equivalent O(1)Sc3Al tetrahedra, and edges with three equivalent C(1)Sc3Al3 octahedra. The corner-sharing octahedral tilt angles range from 7-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScAlCO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.241
_cell_length_b   3.241
_cell_length_c   10.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.530
_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  0.667  0.333  0.804  1.0
  Sc  Sc1  1  0.333  0.667  0.304  1.0
  Al  Al2  1  0.000  1.000  0.520  1.0
  Al  Al3  1  1.000  0.000  0.020  1.0
  C  C4  1  0.333  0.667  0.942  1.0
  C  C5  1  0.667  0.333  0.442  1.0
  O  O6  1  0.000  1.000  0.697  1.0
  O  O7  1  1.000  0.000  0.197  1.0
[/CIF]
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