The material structure described by Nb3Co4B7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to four equivalent B(2) and four equivalent B(3) atoms. In the second Nb site, Nb(2) is bonded in a 9-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(2), and four equivalent B(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent B(3) atoms. In the third Co site, Co(3) is bonded to one B(2) and three equivalent B(3) atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. There are four inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to one Nb(2), two equivalent Nb(1), two equivalent Co(2), three equivalent Co(3), and one B(3) atom. In the second B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Co(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Nb(2), one Co(2), two equivalent Co(1), and two equivalent B(4) atoms. In the fourth B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), one Co(3), two equivalent Co(1), one B(2), and one B(4) atom. is represented by the CIF file [CIF]
data_Nb3Co4B7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.302
_cell_length_b   9.302
_cell_length_c   8.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.237
_symmetry_Int_Tables_number   1
_cell_volume   259.124
_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
  Nb  Nb0  1  0.698  0.302  0.250  1.0
  Nb  Nb1  1  0.302  0.698  0.750  1.0
  Nb  Nb2  1  0.581  0.419  0.555  1.0
  Nb  Nb3  1  0.419  0.581  0.445  1.0
  Nb  Nb4  1  0.419  0.581  0.055  1.0
  Nb  Nb5  1  0.581  0.419  0.945  1.0
  Co  Co6  1  0.542  0.458  0.250  1.0
  Co  Co7  1  0.458  0.542  0.750  1.0
  Co  Co8  1  0.844  0.156  0.250  1.0
  Co  Co9  1  0.156  0.844  0.750  1.0
  Co  Co10  1  0.801  0.199  0.505  1.0
  Co  Co11  1  0.199  0.801  0.495  1.0
  Co  Co12  1  0.199  0.801  0.005  1.0
  Co  Co13  1  0.801  0.199  0.995  1.0
  B  B14  1  0.955  0.045  0.250  1.0
  B  B15  1  0.045  0.955  0.750  1.0
  B  B16  1  0.890  0.110  0.648  1.0
  B  B17  1  0.110  0.890  0.352  1.0
  B  B18  1  0.110  0.890  0.148  1.0
  B  B19  1  0.890  0.110  0.852  1.0
  B  B20  1  0.710  0.290  0.644  1.0
  B  B21  1  0.290  0.710  0.356  1.0
  B  B22  1  0.290  0.710  0.144  1.0
  B  B23  1  0.710  0.290  0.856  1.0
  B  B24  1  0.984  0.016  0.593  1.0
  B  B25  1  0.016  0.984  0.407  1.0
  B  B26  1  0.016  0.984  0.093  1.0
  B  B27  1  0.984  0.016  0.907  1.0
[/CIF]
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The material structure described by Nb3Co4B7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to four equivalent B(2) and four equivalent B(3) atoms. In the second Nb site, Nb(2) is bonded in a 9-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(2), and four equivalent B(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent B(3) atoms. In the third Co site, Co(3) is bonded to one B(2) and three equivalent B(3) atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. There are four inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to one Nb(2), two equivalent Nb(1), two equivalent Co(2), three equivalent Co(3), and one B(3) atom. In the second B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Nb(2), two equivalent Co(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Nb(2), one Co(2), two equivalent Co(1), and two equivalent B(4) atoms. In the fourth B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), one Co(3), two equivalent Co(1), one B(2), and one B(4) atom. is represented by the CIF file [CIF]
data_Nb3Co4B7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.302
_cell_length_b   9.302
_cell_length_c   8.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.237
_symmetry_Int_Tables_number   1
_cell_volume   259.124
_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
  Nb  Nb0  1  0.698  0.302  0.250  1.0
  Nb  Nb1  1  0.302  0.698  0.750  1.0
  Nb  Nb2  1  0.581  0.419  0.555  1.0
  Nb  Nb3  1  0.419  0.581  0.445  1.0
  Nb  Nb4  1  0.419  0.581  0.055  1.0
  Nb  Nb5  1  0.581  0.419  0.945  1.0
  Co  Co6  1  0.542  0.458  0.250  1.0
  Co  Co7  1  0.458  0.542  0.750  1.0
  Co  Co8  1  0.844  0.156  0.250  1.0
  Co  Co9  1  0.156  0.844  0.750  1.0
  Co  Co10  1  0.801  0.199  0.505  1.0
  Co  Co11  1  0.199  0.801  0.495  1.0
  Co  Co12  1  0.199  0.801  0.005  1.0
  Co  Co13  1  0.801  0.199  0.995  1.0
  B  B14  1  0.955  0.045  0.250  1.0
  B  B15  1  0.045  0.955  0.750  1.0
  B  B16  1  0.890  0.110  0.648  1.0
  B  B17  1  0.110  0.890  0.352  1.0
  B  B18  1  0.110  0.890  0.148  1.0
  B  B19  1  0.890  0.110  0.852  1.0
  B  B20  1  0.710  0.290  0.644  1.0
  B  B21  1  0.290  0.710  0.356  1.0
  B  B22  1  0.290  0.710  0.144  1.0
  B  B23  1  0.710  0.290  0.856  1.0
  B  B24  1  0.984  0.016  0.593  1.0
  B  B25  1  0.016  0.984  0.407  1.0
  B  B26  1  0.016  0.984  0.093  1.0
  B  B27  1  0.984  0.016  0.907  1.0
[/CIF]
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