The material structure described by Nb7(Ru3B4)2 crystallizes in the hexagonal P6/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to twelve equivalent B(2) atoms to form face-sharing NbB12 cuboctahedra. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to six equivalent Ru(1), one B(1), and four equivalent B(2) atoms. Ru(1) is bonded in a 9-coordinate geometry to six equivalent Nb(2), one B(2), and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Nb(2) and six equivalent Ru(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one Ru(1), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_Nb7(B4Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.635
_cell_length_b   9.635
_cell_length_c   3.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   251.278
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.276  0.915  0.000  1.0
  Nb  Nb2  1  0.638  0.724  0.000  1.0
  Nb  Nb3  1  0.085  0.362  0.000  1.0
  Nb  Nb4  1  0.724  0.085  0.000  1.0
  Nb  Nb5  1  0.362  0.276  0.000  1.0
  Nb  Nb6  1  0.915  0.638  0.000  1.0
  B  B7  1  0.333  0.667  0.000  1.0
  B  B8  1  0.667  0.333  0.000  1.0
  B  B9  1  0.848  0.782  0.500  1.0
  B  B10  1  0.934  0.152  0.500  1.0
  B  B11  1  0.218  0.066  0.500  1.0
  B  B12  1  0.152  0.218  0.500  1.0
  B  B13  1  0.066  0.848  0.500  1.0
  B  B14  1  0.782  0.934  0.500  1.0
  Ru  Ru15  1  0.640  0.485  0.500  1.0
  Ru  Ru16  1  0.846  0.360  0.500  1.0
  Ru  Ru17  1  0.515  0.154  0.500  1.0
  Ru  Ru18  1  0.360  0.515  0.500  1.0
  Ru  Ru19  1  0.154  0.640  0.500  1.0
  Ru  Ru20  1  0.485  0.846  0.500  1.0
[/CIF]
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The material structure described by Nb7(Ru3B4)2 crystallizes in the hexagonal P6/m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to twelve equivalent B(2) atoms to form face-sharing NbB12 cuboctahedra. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to six equivalent Ru(1), one B(1), and four equivalent B(2) atoms. Ru(1) is bonded in a 9-coordinate geometry to six equivalent Nb(2), one B(2), and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Nb(2) and six equivalent Ru(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one Ru(1), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_Nb7(B4Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.635
_cell_length_b   9.635
_cell_length_c   3.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   251.278
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.276  0.915  0.000  1.0
  Nb  Nb2  1  0.638  0.724  0.000  1.0
  Nb  Nb3  1  0.085  0.362  0.000  1.0
  Nb  Nb4  1  0.724  0.085  0.000  1.0
  Nb  Nb5  1  0.362  0.276  0.000  1.0
  Nb  Nb6  1  0.915  0.638  0.000  1.0
  B  B7  1  0.333  0.667  0.000  1.0
  B  B8  1  0.667  0.333  0.000  1.0
  B  B9  1  0.848  0.782  0.500  1.0
  B  B10  1  0.934  0.152  0.500  1.0
  B  B11  1  0.218  0.066  0.500  1.0
  B  B12  1  0.152  0.218  0.500  1.0
  B  B13  1  0.066  0.848  0.500  1.0
  B  B14  1  0.782  0.934  0.500  1.0
  Ru  Ru15  1  0.640  0.485  0.500  1.0
  Ru  Ru16  1  0.846  0.360  0.500  1.0
  Ru  Ru17  1  0.515  0.154  0.500  1.0
  Ru  Ru18  1  0.360  0.515  0.500  1.0
  Ru  Ru19  1  0.154  0.640  0.500  1.0
  Ru  Ru20  1  0.485  0.846  0.500  1.0
[/CIF]
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