The crystal structure described by Sc2BC2 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing ScC5 square pyramids. B(1) is bonded in a linear geometry to two equivalent C(1) atoms. C(1) is bonded to five equivalent Sc(1) and one B(1) atom to form a mixture of edge and corner-sharing CSc5B octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Sc2BC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.340
_cell_length_b   3.340
_cell_length_c   5.834
_cell_angle_alpha   106.634
_cell_angle_beta   106.634
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.519
_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  0.652  0.652  0.305  1.0
  Sc  Sc1  1  0.348  0.348  0.695  1.0
  B  B2  1  0.000  0.000  0.000  1.0
  C  C3  1  0.862  0.862  0.723  1.0
  C  C4  1  0.138  0.138  0.277  1.0
[/CIF]
.
The crystal structure described by Sc2BC2 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing ScC5 square pyramids. B(1) is bonded in a linear geometry to two equivalent C(1) atoms. C(1) is bonded to five equivalent Sc(1) and one B(1) atom to form a mixture of edge and corner-sharing CSc5B octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Sc2BC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.340
_cell_length_b   3.340
_cell_length_c   5.834
_cell_angle_alpha   106.634
_cell_angle_beta   106.634
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.519
_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  0.652  0.652  0.305  1.0
  Sc  Sc1  1  0.348  0.348  0.695  1.0
  B  B2  1  0.000  0.000  0.000  1.0
  C  C3  1  0.862  0.862  0.723  1.0
  C  C4  1  0.138  0.138  0.277  1.0
[/CIF]
.