The structure described by Sc2CrB6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), two equivalent B(6), and four equivalent B(1) atoms. In the second Sc site, Sc(2) is bonded to two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and four equivalent B(6) atoms to form a mixture of distorted face and edge-sharing ScB12 cuboctahedra. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and two equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one B(2), one B(4), and one B(6) atom. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), two equivalent Cr(1), one B(1), one B(2), and one B(5) atom. In the third B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(1), one B(3), and one B(6) atom. In the fourth B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(2), one B(4), and one B(5) atom. In the fifth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(3), one B(5), and one B(6) atom. In the sixth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_Sc2CrB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.385
_cell_length_b   8.898
_cell_length_c   11.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.629
_cell_formula_units_Z   4
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  0.000  0.822  0.085  1.0
  Sc  Sc1  1  0.000  0.178  0.915  1.0
  Sc  Sc2  1  0.000  0.322  0.415  1.0
  Sc  Sc3  1  0.000  0.678  0.585  1.0
  Sc  Sc4  1  0.000  0.443  0.130  1.0
  Sc  Sc5  1  0.000  0.557  0.870  1.0
  Sc  Sc6  1  0.000  0.943  0.370  1.0
  Sc  Sc7  1  0.000  0.057  0.630  1.0
  Cr  Cr8  1  0.000  0.141  0.180  1.0
  Cr  Cr9  1  0.000  0.859  0.820  1.0
  Cr  Cr10  1  0.000  0.641  0.320  1.0
  Cr  Cr11  1  0.000  0.359  0.680  1.0
  B  B12  1  0.500  0.054  0.065  1.0
  B  B13  1  0.500  0.946  0.935  1.0
  B  B14  1  0.500  0.554  0.435  1.0
  B  B15  1  0.500  0.446  0.565  1.0
  B  B16  1  0.500  0.252  0.080  1.0
  B  B17  1  0.500  0.748  0.920  1.0
  B  B18  1  0.500  0.752  0.420  1.0
  B  B19  1  0.500  0.248  0.580  1.0
  B  B20  1  0.500  0.294  0.237  1.0
  B  B21  1  0.500  0.706  0.763  1.0
  B  B22  1  0.500  0.794  0.263  1.0
  B  B23  1  0.500  0.206  0.737  1.0
  B  B24  1  0.500  0.131  0.317  1.0
  B  B25  1  0.500  0.869  0.683  1.0
  B  B26  1  0.500  0.631  0.183  1.0
  B  B27  1  0.500  0.369  0.817  1.0
  B  B28  1  0.500  0.481  0.288  1.0
  B  B29  1  0.500  0.519  0.712  1.0
  B  B30  1  0.500  0.981  0.212  1.0
  B  B31  1  0.500  0.019  0.788  1.0
  B  B32  1  0.500  0.099  0.473  1.0
  B  B33  1  0.500  0.901  0.527  1.0
  B  B34  1  0.500  0.599  0.027  1.0
  B  B35  1  0.500  0.401  0.973  1.0
[/CIF]
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The structure described by Sc2CrB6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 14-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), two equivalent B(6), and four equivalent B(1) atoms. In the second Sc site, Sc(2) is bonded to two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and four equivalent B(6) atoms to form a mixture of distorted face and edge-sharing ScB12 cuboctahedra. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and two equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one B(2), one B(4), and one B(6) atom. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), two equivalent Cr(1), one B(1), one B(2), and one B(5) atom. In the third B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(1), one B(3), and one B(6) atom. In the fourth B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(2), one B(4), and one B(5) atom. In the fifth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(3), one B(5), and one B(6) atom. In the sixth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Cr(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_Sc2CrB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.385
_cell_length_b   8.898
_cell_length_c   11.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.629
_cell_formula_units_Z   4
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  0.000  0.822  0.085  1.0
  Sc  Sc1  1  0.000  0.178  0.915  1.0
  Sc  Sc2  1  0.000  0.322  0.415  1.0
  Sc  Sc3  1  0.000  0.678  0.585  1.0
  Sc  Sc4  1  0.000  0.443  0.130  1.0
  Sc  Sc5  1  0.000  0.557  0.870  1.0
  Sc  Sc6  1  0.000  0.943  0.370  1.0
  Sc  Sc7  1  0.000  0.057  0.630  1.0
  Cr  Cr8  1  0.000  0.141  0.180  1.0
  Cr  Cr9  1  0.000  0.859  0.820  1.0
  Cr  Cr10  1  0.000  0.641  0.320  1.0
  Cr  Cr11  1  0.000  0.359  0.680  1.0
  B  B12  1  0.500  0.054  0.065  1.0
  B  B13  1  0.500  0.946  0.935  1.0
  B  B14  1  0.500  0.554  0.435  1.0
  B  B15  1  0.500  0.446  0.565  1.0
  B  B16  1  0.500  0.252  0.080  1.0
  B  B17  1  0.500  0.748  0.920  1.0
  B  B18  1  0.500  0.752  0.420  1.0
  B  B19  1  0.500  0.248  0.580  1.0
  B  B20  1  0.500  0.294  0.237  1.0
  B  B21  1  0.500  0.706  0.763  1.0
  B  B22  1  0.500  0.794  0.263  1.0
  B  B23  1  0.500  0.206  0.737  1.0
  B  B24  1  0.500  0.131  0.317  1.0
  B  B25  1  0.500  0.869  0.683  1.0
  B  B26  1  0.500  0.631  0.183  1.0
  B  B27  1  0.500  0.369  0.817  1.0
  B  B28  1  0.500  0.481  0.288  1.0
  B  B29  1  0.500  0.519  0.712  1.0
  B  B30  1  0.500  0.981  0.212  1.0
  B  B31  1  0.500  0.019  0.788  1.0
  B  B32  1  0.500  0.099  0.473  1.0
  B  B33  1  0.500  0.901  0.527  1.0
  B  B34  1  0.500  0.599  0.027  1.0
  B  B35  1  0.500  0.401  0.973  1.0
[/CIF]
.