The structure described by Sc3OsC4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Os(1) and eight equivalent C(1) atoms to form distorted ScOs4C8 cuboctahedra that share corners with four equivalent Sc(1)Os4C8 cuboctahedra, corners with eight equivalent C(1)Sc5OsC pentagonal bipyramids, edges with two equivalent Sc(1)Os4C8 cuboctahedra, edges with eight equivalent C(1)Sc5OsC pentagonal bipyramids, and faces with two equivalent Sc(1)Os4C8 cuboctahedra. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. Os(1) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent C(1) atoms. C(1) is bonded to two equivalent Sc(1), three equivalent Sc(2), one Os(1), and one C(1) atom to form distorted CSc5OsC pentagonal bipyramids that share corners with two equivalent Sc(1)Os4C8 cuboctahedra, corners with thirteen equivalent C(1)Sc5OsC pentagonal bipyramids, edges with two equivalent Sc(1)Os4C8 cuboctahedra, edges with five equivalent C(1)Sc5OsC pentagonal bipyramids, and faces with three equivalent C(1)Sc5OsC pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sc3OsC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.790
_cell_length_c   6.790
_cell_angle_alpha   151.414
_cell_angle_beta   141.524
_cell_angle_gamma   48.626
_symmetry_Int_Tables_number   1
_cell_volume   92.823
_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  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.809  0.309  0.500  1.0
  Sc  Sc2  1  0.191  0.691  0.500  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.211  0.872  0.339  1.0
  C  C5  1  0.789  0.128  0.661  1.0
  C  C6  1  0.467  0.128  0.339  1.0
  C  C7  1  0.533  0.872  0.661  1.0
[/CIF]
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The structure described by Sc3OsC4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Os(1) and eight equivalent C(1) atoms to form distorted ScOs4C8 cuboctahedra that share corners with four equivalent Sc(1)Os4C8 cuboctahedra, corners with eight equivalent C(1)Sc5OsC pentagonal bipyramids, edges with two equivalent Sc(1)Os4C8 cuboctahedra, edges with eight equivalent C(1)Sc5OsC pentagonal bipyramids, and faces with two equivalent Sc(1)Os4C8 cuboctahedra. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to six equivalent C(1) atoms. Os(1) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent C(1) atoms. C(1) is bonded to two equivalent Sc(1), three equivalent Sc(2), one Os(1), and one C(1) atom to form distorted CSc5OsC pentagonal bipyramids that share corners with two equivalent Sc(1)Os4C8 cuboctahedra, corners with thirteen equivalent C(1)Sc5OsC pentagonal bipyramids, edges with two equivalent Sc(1)Os4C8 cuboctahedra, edges with five equivalent C(1)Sc5OsC pentagonal bipyramids, and faces with three equivalent C(1)Sc5OsC pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sc3OsC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.790
_cell_length_c   6.790
_cell_angle_alpha   151.414
_cell_angle_beta   141.524
_cell_angle_gamma   48.626
_symmetry_Int_Tables_number   1
_cell_volume   92.823
_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  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.809  0.309  0.500  1.0
  Sc  Sc2  1  0.191  0.691  0.500  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.211  0.872  0.339  1.0
  C  C5  1  0.789  0.128  0.661  1.0
  C  C6  1  0.467  0.128  0.339  1.0
  C  C7  1  0.533  0.872  0.661  1.0
[/CIF]
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