The structure described by Nb3B4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. In the second Nb site, Nb(2) is bonded to four equivalent B(2) and eight equivalent B(1) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), five equivalent Nb(1), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one B(1), and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Nb3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.155
_cell_length_b   3.317
_cell_length_c   7.438
_cell_angle_alpha   102.874
_cell_angle_beta   102.229
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   74.068
_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  0.185  0.185  0.370  1.0
  Nb  Nb1  1  0.815  0.815  0.630  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.936  0.436  0.871  1.0
  B  B4  1  0.064  0.564  0.129  1.0
  B  B5  1  0.368  0.368  0.736  1.0
  B  B6  1  0.632  0.632  0.264  1.0
[/CIF]
.
The structure described by Nb3B4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. In the second Nb site, Nb(2) is bonded to four equivalent B(2) and eight equivalent B(1) atoms to form a mixture of face and edge-sharing NbB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), five equivalent Nb(1), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), four equivalent Nb(2), one B(1), and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Nb3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.155
_cell_length_b   3.317
_cell_length_c   7.438
_cell_angle_alpha   102.874
_cell_angle_beta   102.229
_cell_angle_gamma   89.975
_symmetry_Int_Tables_number   1
_cell_volume   74.068
_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  0.185  0.185  0.370  1.0
  Nb  Nb1  1  0.815  0.815  0.630  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.936  0.436  0.871  1.0
  B  B4  1  0.064  0.564  0.129  1.0
  B  B5  1  0.368  0.368  0.736  1.0
  B  B6  1  0.632  0.632  0.264  1.0
[/CIF]
.