The compound described by ScNb2Ru5B2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(4), one B(1), and two equivalent B(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to four equivalent Ru(3) and four equivalent Ru(4) atoms. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), four equivalent Ru(3), four equivalent Ru(4), one B(2), and two equivalent B(1) atoms. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(2) atoms. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(1) atoms. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Nb(2), two equivalent Ru(1), and four equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Nb(2), two equivalent Ru(2), and four equivalent Ru(4) atoms. is represented by the CIF file [CIF]
data_ScNb2B2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   3.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   274.102
_cell_formula_units_Z   2
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  0.175  0.175  0.000  1.0
  Sc  Sc1  1  0.825  0.825  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  Nb  Nb4  1  0.677  0.323  0.000  1.0
  Nb  Nb5  1  0.323  0.677  0.000  1.0
  B  B6  1  0.377  0.377  0.000  1.0
  B  B7  1  0.623  0.623  0.000  1.0
  B  B8  1  0.881  0.119  0.000  1.0
  B  B9  1  0.119  0.881  0.000  1.0
  Ru  Ru10  1  0.500  0.500  0.500  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
  Ru  Ru12  1  0.434  0.220  0.500  1.0
  Ru  Ru13  1  0.566  0.780  0.500  1.0
  Ru  Ru14  1  0.924  0.284  0.500  1.0
  Ru  Ru15  1  0.076  0.716  0.500  1.0
  Ru  Ru16  1  0.716  0.076  0.500  1.0
  Ru  Ru17  1  0.284  0.924  0.500  1.0
  Ru  Ru18  1  0.780  0.566  0.500  1.0
  Ru  Ru19  1  0.220  0.434  0.500  1.0
[/CIF]
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The compound described by ScNb2Ru5B2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(4), one B(1), and two equivalent B(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to four equivalent Ru(3) and four equivalent Ru(4) atoms. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), four equivalent Ru(3), four equivalent Ru(4), one B(2), and two equivalent B(1) atoms. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent B(1) atoms. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(2) atoms. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(1) atoms. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Nb(2), two equivalent Ru(1), and four equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Nb(2), two equivalent Ru(2), and four equivalent Ru(4) atoms. is represented by the CIF file [CIF]
data_ScNb2B2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.476
_cell_length_b   9.476
_cell_length_c   3.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   274.102
_cell_formula_units_Z   2
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  0.175  0.175  0.000  1.0
  Sc  Sc1  1  0.825  0.825  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  Nb  Nb4  1  0.677  0.323  0.000  1.0
  Nb  Nb5  1  0.323  0.677  0.000  1.0
  B  B6  1  0.377  0.377  0.000  1.0
  B  B7  1  0.623  0.623  0.000  1.0
  B  B8  1  0.881  0.119  0.000  1.0
  B  B9  1  0.119  0.881  0.000  1.0
  Ru  Ru10  1  0.500  0.500  0.500  1.0
  Ru  Ru11  1  0.000  0.000  0.500  1.0
  Ru  Ru12  1  0.434  0.220  0.500  1.0
  Ru  Ru13  1  0.566  0.780  0.500  1.0
  Ru  Ru14  1  0.924  0.284  0.500  1.0
  Ru  Ru15  1  0.076  0.716  0.500  1.0
  Ru  Ru16  1  0.716  0.076  0.500  1.0
  Ru  Ru17  1  0.284  0.924  0.500  1.0
  Ru  Ru18  1  0.780  0.566  0.500  1.0
  Ru  Ru19  1  0.220  0.434  0.500  1.0
[/CIF]
.