The structure described by Sc3RuC4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. In the second Sc site, Sc(2) is bonded to four equivalent Ru(1) and eight equivalent C(1) atoms to form distorted ScRu4C8 cuboctahedra that share corners with four equivalent Sc(2)Ru4C8 cuboctahedra, corners with eight equivalent C(1)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with eight equivalent C(1)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(2)Ru4C8 cuboctahedra. Ru(1) is bonded in a distorted square co-planar geometry to four equivalent Sc(2) and four equivalent C(1) atoms. C(1) is bonded to two equivalent Sc(2), three equivalent Sc(1), one Ru(1), and one C(1) atom to form distorted CSc5RuC pentagonal bipyramids that share corners with two equivalent Sc(2)Ru4C8 cuboctahedra, corners with thirteen equivalent C(1)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with five equivalent C(1)Sc5RuC pentagonal bipyramids, and faces with three equivalent C(1)Sc5RuC pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3RuC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   4.496
_cell_length_c   6.798
_cell_angle_alpha   109.309
_cell_angle_beta   104.137
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.529
_cell_formula_units_Z   1
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  0.810  0.810  0.621  1.0
  Sc  Sc1  1  0.190  0.190  0.379  1.0
  Sc  Sc2  1  0.000  0.500  0.000  1.0
  Ru  Ru3  1  0.500  0.000  0.000  1.0
  C  C4  1  0.629  0.788  0.259  1.0
  C  C5  1  0.371  0.212  0.741  1.0
  C  C6  1  0.371  0.529  0.741  1.0
  C  C7  1  0.629  0.471  0.259  1.0
[/CIF]
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The structure described by Sc3RuC4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. In the second Sc site, Sc(2) is bonded to four equivalent Ru(1) and eight equivalent C(1) atoms to form distorted ScRu4C8 cuboctahedra that share corners with four equivalent Sc(2)Ru4C8 cuboctahedra, corners with eight equivalent C(1)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with eight equivalent C(1)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(2)Ru4C8 cuboctahedra. Ru(1) is bonded in a distorted square co-planar geometry to four equivalent Sc(2) and four equivalent C(1) atoms. C(1) is bonded to two equivalent Sc(2), three equivalent Sc(1), one Ru(1), and one C(1) atom to form distorted CSc5RuC pentagonal bipyramids that share corners with two equivalent Sc(2)Ru4C8 cuboctahedra, corners with thirteen equivalent C(1)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with five equivalent C(1)Sc5RuC pentagonal bipyramids, and faces with three equivalent C(1)Sc5RuC pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3RuC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   4.496
_cell_length_c   6.798
_cell_angle_alpha   109.309
_cell_angle_beta   104.137
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.529
_cell_formula_units_Z   1
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  0.810  0.810  0.621  1.0
  Sc  Sc1  1  0.190  0.190  0.379  1.0
  Sc  Sc2  1  0.000  0.500  0.000  1.0
  Ru  Ru3  1  0.500  0.000  0.000  1.0
  C  C4  1  0.629  0.788  0.259  1.0
  C  C5  1  0.371  0.212  0.741  1.0
  C  C6  1  0.371  0.529  0.741  1.0
  C  C7  1  0.629  0.471  0.259  1.0
[/CIF]
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