The structure described by ScB2C crystallizes in the tetragonal P4_2/mbc space group. Sc(1) is bonded in a 14-coordinate geometry to four equivalent B(1), six equivalent B(2), and four equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted water-like geometry to four equivalent Sc(1) and two equivalent C(1) atoms. In the second B site, B(2) is bonded in a distorted single-bond geometry to six equivalent Sc(1) and one C(1) atom. C(1) is bonded in a 3-coordinate geometry to four equivalent Sc(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ScB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.646
_cell_length_c   6.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.966
_cell_formula_units_Z   8
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  0.308  0.808  0.750  1.0
  Sc  Sc1  1  0.192  0.308  0.250  1.0
  Sc  Sc2  1  0.808  0.692  0.250  1.0
  Sc  Sc3  1  0.692  0.192  0.750  1.0
  Sc  Sc4  1  0.692  0.192  0.250  1.0
  Sc  Sc5  1  0.808  0.692  0.750  1.0
  Sc  Sc6  1  0.192  0.308  0.750  1.0
  Sc  Sc7  1  0.308  0.808  0.250  1.0
  B  B8  1  0.153  0.034  0.000  1.0
  B  B9  1  0.534  0.653  0.500  1.0
  B  B10  1  0.847  0.966  0.000  1.0
  B  B11  1  0.347  0.534  0.000  1.0
  B  B12  1  0.653  0.466  0.000  1.0
  B  B13  1  0.034  0.847  0.500  1.0
  B  B14  1  0.966  0.153  0.500  1.0
  B  B15  1  0.466  0.347  0.500  1.0
  B  B16  1  0.096  0.592  0.000  1.0
  B  B17  1  0.408  0.096  0.500  1.0
  B  B18  1  0.592  0.904  0.500  1.0
  B  B19  1  0.596  0.908  0.000  1.0
  B  B20  1  0.404  0.092  0.000  1.0
  B  B21  1  0.904  0.408  0.000  1.0
  B  B22  1  0.092  0.596  0.500  1.0
  B  B23  1  0.908  0.404  0.500  1.0
  C  C24  1  0.179  0.040  0.500  1.0
  C  C25  1  0.679  0.460  0.500  1.0
  C  C26  1  0.321  0.540  0.500  1.0
  C  C27  1  0.960  0.179  0.000  1.0
  C  C28  1  0.040  0.821  0.000  1.0
  C  C29  1  0.540  0.679  0.000  1.0
  C  C30  1  0.821  0.960  0.500  1.0
  C  C31  1  0.460  0.321  0.000  1.0
[/CIF]
.
The structure described by ScB2C crystallizes in the tetragonal P4_2/mbc space group. Sc(1) is bonded in a 14-coordinate geometry to four equivalent B(1), six equivalent B(2), and four equivalent C(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted water-like geometry to four equivalent Sc(1) and two equivalent C(1) atoms. In the second B site, B(2) is bonded in a distorted single-bond geometry to six equivalent Sc(1) and one C(1) atom. C(1) is bonded in a 3-coordinate geometry to four equivalent Sc(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ScB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.646
_cell_length_c   6.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.966
_cell_formula_units_Z   8
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  0.308  0.808  0.750  1.0
  Sc  Sc1  1  0.192  0.308  0.250  1.0
  Sc  Sc2  1  0.808  0.692  0.250  1.0
  Sc  Sc3  1  0.692  0.192  0.750  1.0
  Sc  Sc4  1  0.692  0.192  0.250  1.0
  Sc  Sc5  1  0.808  0.692  0.750  1.0
  Sc  Sc6  1  0.192  0.308  0.750  1.0
  Sc  Sc7  1  0.308  0.808  0.250  1.0
  B  B8  1  0.153  0.034  0.000  1.0
  B  B9  1  0.534  0.653  0.500  1.0
  B  B10  1  0.847  0.966  0.000  1.0
  B  B11  1  0.347  0.534  0.000  1.0
  B  B12  1  0.653  0.466  0.000  1.0
  B  B13  1  0.034  0.847  0.500  1.0
  B  B14  1  0.966  0.153  0.500  1.0
  B  B15  1  0.466  0.347  0.500  1.0
  B  B16  1  0.096  0.592  0.000  1.0
  B  B17  1  0.408  0.096  0.500  1.0
  B  B18  1  0.592  0.904  0.500  1.0
  B  B19  1  0.596  0.908  0.000  1.0
  B  B20  1  0.404  0.092  0.000  1.0
  B  B21  1  0.904  0.408  0.000  1.0
  B  B22  1  0.092  0.596  0.500  1.0
  B  B23  1  0.908  0.404  0.500  1.0
  C  C24  1  0.179  0.040  0.500  1.0
  C  C25  1  0.679  0.460  0.500  1.0
  C  C26  1  0.321  0.540  0.500  1.0
  C  C27  1  0.960  0.179  0.000  1.0
  C  C28  1  0.040  0.821  0.000  1.0
  C  C29  1  0.540  0.679  0.000  1.0
  C  C30  1  0.821  0.960  0.500  1.0
  C  C31  1  0.460  0.321  0.000  1.0
[/CIF]
.