The material structure described by Sc2Mo4Al3C3 is H-Phase-derived structured and crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 3-coordinate geometry to four equivalent Al(2), one C(2), and two equivalent C(1) atoms. Mo(1) is bonded in a 3-coordinate geometry to one Al(1), two equivalent Al(2), one C(2), and two equivalent C(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to four equivalent Sc(1), four equivalent Mo(1), two equivalent Al(1), and two equivalent Al(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Sc(1) and four equivalent Mo(1) atoms to form edge-sharing CSc2Mo4 octahedra. In the second C site, C(2) is bonded to two equivalent Sc(1) and four equivalent Mo(1) atoms to form edge-sharing CSc2Mo4 octahedra. is represented by the CIF card [CIF]
data_Sc2Al3Mo4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   5.435
_cell_length_c   13.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.772
_symmetry_Int_Tables_number   1
_cell_volume   344.950
_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
  Al  Al0  1  0.310  0.000  0.750  1.0
  Al  Al1  1  0.690  0.000  0.250  1.0
  Al  Al2  1  0.824  0.485  0.750  1.0
  Al  Al3  1  0.660  0.485  0.250  1.0
  Al  Al4  1  0.340  0.515  0.750  1.0
  Al  Al5  1  0.176  0.515  0.250  1.0
  C  C6  1  0.167  0.334  1.000  1.0
  C  C7  1  0.833  0.666  0.500  1.0
  C  C8  1  0.833  0.666  1.000  1.0
  C  C9  1  0.167  0.334  0.500  1.0
  C  C10  1  0.500  1.000  0.000  1.0
  C  C11  1  0.500  1.000  0.500  1.0
  Mo  Mo12  1  0.510  0.677  0.421  1.0
  Mo  Mo13  1  0.167  0.677  0.579  1.0
  Mo  Mo14  1  0.833  0.323  0.079  1.0
  Mo  Mo15  1  0.490  0.323  0.921  1.0
  Mo  Mo16  1  0.490  0.323  0.579  1.0
  Mo  Mo17  1  0.833  0.323  0.421  1.0
  Mo  Mo18  1  0.167  0.677  0.921  1.0
  Mo  Mo19  1  0.510  0.677  0.079  1.0
  Sc  Sc20  1  0.837  0.000  0.890  1.0
  Sc  Sc21  1  0.163  0.000  0.110  1.0
  Sc  Sc22  1  0.837  0.000  0.610  1.0
  Sc  Sc23  1  0.163  0.000  0.390  1.0
[/CIF]
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The material structure described by Sc2Mo4Al3C3 is H-Phase-derived structured and crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 3-coordinate geometry to four equivalent Al(2), one C(2), and two equivalent C(1) atoms. Mo(1) is bonded in a 3-coordinate geometry to one Al(1), two equivalent Al(2), one C(2), and two equivalent C(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to four equivalent Sc(1), four equivalent Mo(1), two equivalent Al(1), and two equivalent Al(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Sc(1) and four equivalent Mo(1) atoms to form edge-sharing CSc2Mo4 octahedra. In the second C site, C(2) is bonded to two equivalent Sc(1) and four equivalent Mo(1) atoms to form edge-sharing CSc2Mo4 octahedra. is represented by the CIF card [CIF]
data_Sc2Al3Mo4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.397
_cell_length_b   5.435
_cell_length_c   13.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.772
_symmetry_Int_Tables_number   1
_cell_volume   344.950
_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
  Al  Al0  1  0.310  0.000  0.750  1.0
  Al  Al1  1  0.690  0.000  0.250  1.0
  Al  Al2  1  0.824  0.485  0.750  1.0
  Al  Al3  1  0.660  0.485  0.250  1.0
  Al  Al4  1  0.340  0.515  0.750  1.0
  Al  Al5  1  0.176  0.515  0.250  1.0
  C  C6  1  0.167  0.334  1.000  1.0
  C  C7  1  0.833  0.666  0.500  1.0
  C  C8  1  0.833  0.666  1.000  1.0
  C  C9  1  0.167  0.334  0.500  1.0
  C  C10  1  0.500  1.000  0.000  1.0
  C  C11  1  0.500  1.000  0.500  1.0
  Mo  Mo12  1  0.510  0.677  0.421  1.0
  Mo  Mo13  1  0.167  0.677  0.579  1.0
  Mo  Mo14  1  0.833  0.323  0.079  1.0
  Mo  Mo15  1  0.490  0.323  0.921  1.0
  Mo  Mo16  1  0.490  0.323  0.579  1.0
  Mo  Mo17  1  0.833  0.323  0.421  1.0
  Mo  Mo18  1  0.167  0.677  0.921  1.0
  Mo  Mo19  1  0.510  0.677  0.079  1.0
  Sc  Sc20  1  0.837  0.000  0.890  1.0
  Sc  Sc21  1  0.163  0.000  0.110  1.0
  Sc  Sc22  1  0.837  0.000  0.610  1.0
  Sc  Sc23  1  0.163  0.000  0.390  1.0
[/CIF]
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