The material described by Sc3RuC4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent C(1) and four equivalent C(2) atoms to form distorted ScC8 hexagonal bipyramids that share corners with four equivalent C(1)Sc5RuC pentagonal bipyramids, corners with four equivalent C(2)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(2)Ru4C8 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Ru(1), four equivalent C(1), and four equivalent C(2) atoms to form distorted ScRu4C8 cuboctahedra that share corners with four equivalent C(1)Sc5RuC pentagonal bipyramids, corners with four equivalent C(2)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with four equivalent C(1)Sc5RuC pentagonal bipyramids, edges with four equivalent C(2)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(1)C8 hexagonal bipyramids. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. Ru(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(2), two equivalent C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sc(1), one Sc(2), one Sc(3), two equivalent Sc(4), one Ru(1), and one C(1) atom to form distorted CSc5RuC pentagonal bipyramids that share  a cornercorner with one Sc(2)Ru4C8 cuboctahedra,  a cornercorner with one Sc(1)C8 hexagonal bipyramid, corners with six equivalent C(1)Sc5RuC pentagonal bipyramids, corners with seven equivalent C(2)Sc5RuC pentagonal bipyramids,  an edgeedge with one Sc(2)Ru4C8 cuboctahedra,  an edgeedge with one C(1)Sc5RuC pentagonal bipyramid, edges with four equivalent C(2)Sc5RuC pentagonal bipyramids,  a faceface with one C(2)Sc5RuC pentagonal bipyramid, and faces with two equivalent C(1)Sc5RuC pentagonal bipyramids. In the second C site, C(2) is bonded to one Sc(1), one Sc(2), one Sc(4), two equivalent Sc(3), one Ru(1), and one C(2) atom to form distorted CSc5RuC pentagonal bipyramids that share  a cornercorner with one Sc(2)Ru4C8 cuboctahedra,  a cornercorner with one Sc(1)C8 hexagonal bipyramid, corners with six equivalent C(2)Sc5RuC pentagonal bipyramids, corners with seven equivalent C(1)Sc5RuC pentagonal bipyramids,  an edgeedge with one Sc(2)Ru4C8 cuboctahedra,  an edgeedge with one C(2)Sc5RuC pentagonal bipyramid, edges with four equivalent C(1)Sc5RuC pentagonal bipyramids,  a faceface with one C(1)Sc5RuC pentagonal bipyramid, and faces with two equivalent C(2)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   3.341
_cell_length_b   4.479
_cell_length_c   6.794
_cell_angle_alpha   109.248
_cell_angle_beta   104.228
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.680
_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
  C  C0  1  0.629  0.469  0.258  1.0
  C  C1  1  0.629  0.788  0.258  1.0
  C  C2  1  0.371  0.531  0.742  1.0
  C  C3  1  0.371  0.212  0.742  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.000  0.500  0.000  1.0
  Sc  Sc6  1  0.190  0.190  0.379  1.0
  Sc  Sc7  1  0.810  0.810  0.621  1.0
[/CIF]
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The material described by Sc3RuC4 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent C(1) and four equivalent C(2) atoms to form distorted ScC8 hexagonal bipyramids that share corners with four equivalent C(1)Sc5RuC pentagonal bipyramids, corners with four equivalent C(2)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(2)Ru4C8 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Ru(1), four equivalent C(1), and four equivalent C(2) atoms to form distorted ScRu4C8 cuboctahedra that share corners with four equivalent C(1)Sc5RuC pentagonal bipyramids, corners with four equivalent C(2)Sc5RuC pentagonal bipyramids, edges with two equivalent Sc(2)Ru4C8 cuboctahedra, edges with four equivalent C(1)Sc5RuC pentagonal bipyramids, edges with four equivalent C(2)Sc5RuC pentagonal bipyramids, and faces with two equivalent Sc(1)C8 hexagonal bipyramids. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent C(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 6-coordinate geometry to two equivalent C(2) and four equivalent C(1) atoms. Ru(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(2), two equivalent C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Sc(1), one Sc(2), one Sc(3), two equivalent Sc(4), one Ru(1), and one C(1) atom to form distorted CSc5RuC pentagonal bipyramids that share  a cornercorner with one Sc(2)Ru4C8 cuboctahedra,  a cornercorner with one Sc(1)C8 hexagonal bipyramid, corners with six equivalent C(1)Sc5RuC pentagonal bipyramids, corners with seven equivalent C(2)Sc5RuC pentagonal bipyramids,  an edgeedge with one Sc(2)Ru4C8 cuboctahedra,  an edgeedge with one C(1)Sc5RuC pentagonal bipyramid, edges with four equivalent C(2)Sc5RuC pentagonal bipyramids,  a faceface with one C(2)Sc5RuC pentagonal bipyramid, and faces with two equivalent C(1)Sc5RuC pentagonal bipyramids. In the second C site, C(2) is bonded to one Sc(1), one Sc(2), one Sc(4), two equivalent Sc(3), one Ru(1), and one C(2) atom to form distorted CSc5RuC pentagonal bipyramids that share  a cornercorner with one Sc(2)Ru4C8 cuboctahedra,  a cornercorner with one Sc(1)C8 hexagonal bipyramid, corners with six equivalent C(2)Sc5RuC pentagonal bipyramids, corners with seven equivalent C(1)Sc5RuC pentagonal bipyramids,  an edgeedge with one Sc(2)Ru4C8 cuboctahedra,  an edgeedge with one C(2)Sc5RuC pentagonal bipyramid, edges with four equivalent C(1)Sc5RuC pentagonal bipyramids,  a faceface with one C(1)Sc5RuC pentagonal bipyramid, and faces with two equivalent C(2)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   3.341
_cell_length_b   4.479
_cell_length_c   6.794
_cell_angle_alpha   109.248
_cell_angle_beta   104.228
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.680
_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
  C  C0  1  0.629  0.469  0.258  1.0
  C  C1  1  0.629  0.788  0.258  1.0
  C  C2  1  0.371  0.531  0.742  1.0
  C  C3  1  0.371  0.212  0.742  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.000  0.500  0.000  1.0
  Sc  Sc6  1  0.190  0.190  0.379  1.0
  Sc  Sc7  1  0.810  0.810  0.621  1.0
[/CIF]
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