The compound described by Nb2(Co7B2)3 crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(3) atoms. In the second Co site, Co(2) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing CoNbB3 tetrahedra. In the third Co site, Co(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2(Co7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   7.399
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.394
_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  0.250  0.250  0.250  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Co  Co2  1  0.000  1.000  1.000  1.0
  Co  Co3  1  0.849  0.384  0.384  1.0
  Co  Co4  1  0.384  0.849  0.384  1.0
  Co  Co5  1  0.384  0.384  0.849  1.0
  Co  Co6  1  0.384  0.384  0.384  1.0
  Co  Co7  1  0.151  0.616  0.616  1.0
  Co  Co8  1  0.616  0.151  0.616  1.0
  Co  Co9  1  0.616  0.616  0.151  1.0
  Co  Co10  1  0.616  0.616  0.616  1.0
  Co  Co11  1  0.658  1.000  0.000  1.0
  Co  Co12  1  0.658  1.000  0.342  1.0
  Co  Co13  1  0.658  0.342  1.000  1.0
  Co  Co14  1  0.000  0.658  0.342  1.0
  Co  Co15  1  0.000  0.658  1.000  1.0
  Co  Co16  1  0.342  0.658  1.000  1.0
  Co  Co17  1  1.000  0.342  0.658  1.0
  Co  Co18  1  0.342  1.000  0.658  1.0
  Co  Co19  1  0.000  1.000  0.658  1.0
  Co  Co20  1  0.342  1.000  0.000  1.0
  Co  Co21  1  0.000  0.342  1.000  1.0
  Co  Co22  1  0.000  1.000  0.342  1.0
  B  B23  1  0.725  0.275  0.275  1.0
  B  B24  1  0.725  0.275  0.725  1.0
  B  B25  1  0.725  0.726  0.275  1.0
  B  B26  1  0.275  0.725  0.725  1.0
  B  B27  1  0.275  0.725  0.275  1.0
  B  B28  1  0.275  0.275  0.725  1.0
[/CIF]
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The compound described by Nb2(Co7B2)3 crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(3) atoms. In the second Co site, Co(2) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing CoNbB3 tetrahedra. In the third Co site, Co(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2(Co7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   7.399
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.394
_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  0.250  0.250  0.250  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Co  Co2  1  0.000  1.000  1.000  1.0
  Co  Co3  1  0.849  0.384  0.384  1.0
  Co  Co4  1  0.384  0.849  0.384  1.0
  Co  Co5  1  0.384  0.384  0.849  1.0
  Co  Co6  1  0.384  0.384  0.384  1.0
  Co  Co7  1  0.151  0.616  0.616  1.0
  Co  Co8  1  0.616  0.151  0.616  1.0
  Co  Co9  1  0.616  0.616  0.151  1.0
  Co  Co10  1  0.616  0.616  0.616  1.0
  Co  Co11  1  0.658  1.000  0.000  1.0
  Co  Co12  1  0.658  1.000  0.342  1.0
  Co  Co13  1  0.658  0.342  1.000  1.0
  Co  Co14  1  0.000  0.658  0.342  1.0
  Co  Co15  1  0.000  0.658  1.000  1.0
  Co  Co16  1  0.342  0.658  1.000  1.0
  Co  Co17  1  1.000  0.342  0.658  1.0
  Co  Co18  1  0.342  1.000  0.658  1.0
  Co  Co19  1  0.000  1.000  0.658  1.0
  Co  Co20  1  0.342  1.000  0.000  1.0
  Co  Co21  1  0.000  0.342  1.000  1.0
  Co  Co22  1  0.000  1.000  0.342  1.0
  B  B23  1  0.725  0.275  0.275  1.0
  B  B24  1  0.725  0.275  0.725  1.0
  B  B25  1  0.725  0.726  0.275  1.0
  B  B26  1  0.275  0.725  0.725  1.0
  B  B27  1  0.275  0.725  0.275  1.0
  B  B28  1  0.275  0.275  0.725  1.0
[/CIF]
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