The structure described by NiBi crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one Ni(16), one Ni(5), one Bi(13), one Bi(14), one Bi(15), one Bi(16), one Bi(2), and one Bi(3) atom. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(6), one Bi(1), one Bi(13), one Bi(14), one Bi(15), one Bi(16), and one Bi(4) atom. In the third Ni site, Ni(3) is bonded in a 11-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), one Ni(5), one Ni(9), one Bi(11), one Bi(3), one Bi(6), one Bi(7), and one Bi(9) atom. In the fourth Ni site, Ni(4) is bonded in a 11-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), one Ni(6), one Ni(9), one Bi(10), one Bi(12), one Bi(4), one Bi(5), and one Bi(8) atom. In the fifth Ni site, Ni(5) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(16), one Ni(3), one Ni(9), one Bi(13), one Bi(15), one Bi(3), one Bi(5), one Bi(7), and one Bi(9) atom. In the sixth Ni site, Ni(6) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(4), one Ni(9), one Bi(10), one Bi(14), one Bi(16), one Bi(4), one Bi(6), and one Bi(8) atom. In the seventh Ni site, Ni(7) is bonded in a 9-coordinate geometry to one Ni(10), one Ni(11), one Ni(16), one Bi(1), one Bi(13), one Bi(14), one Bi(2), one Bi(3), and one Bi(4) atom. In the eighth Ni site, Ni(8) is bonded in a 9-coordinate geometry to one Ni(12), one Ni(13), one Ni(16), one Bi(1), one Bi(15), one Bi(16), one Bi(2), one Bi(3), and one Bi(4) atom. In the ninth Ni site, Ni(9) is bonded in a 10-coordinate geometry to one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Bi(10), one Bi(5), one Bi(6), one Bi(7), one Bi(8), and one Bi(9) atom. In the tenth Ni site, Ni(10) is bonded in a 10-coordinate geometry to one Ni(14), one Ni(16), one Ni(3), one Ni(7), one Bi(1), one Bi(11), one Bi(13), one Bi(3), one Bi(5), and one Bi(7) atom. In the eleventh Ni site, Ni(11) is bonded in a 9-coordinate geometry to one Ni(15), one Ni(4), one Ni(7), one Bi(12), one Bi(14), one Bi(2), one Bi(4), one Bi(6), and one Bi(8) atom. In the twelfth Ni site, Ni(12) is bonded in a 10-coordinate geometry to one Ni(15), one Ni(16), one Ni(3), one Ni(8), one Bi(1), one Bi(11), one Bi(15), one Bi(3), one Bi(5), and one Bi(9) atom. In the thirteenth Ni site, Ni(13) is bonded in a 9-coordinate geometry to one Ni(14), one Ni(4), one Ni(8), one Bi(10), one Bi(12), one Bi(16), one Bi(2), one Bi(4), and one Bi(6) atom. In the fourteenth Ni site, Ni(14) is bonded in a 10-coordinate geometry to one Ni(10), one Ni(13), one Ni(3), one Ni(4), one Bi(10), one Bi(11), one Bi(12), one Bi(5), one Bi(6), and one Bi(7) atom. In the fifteenth Ni site, Ni(15) is bonded in a 10-coordinate geometry to one Ni(11), one Ni(12), one Ni(3), one Ni(4), one Bi(11), one Bi(12), one Bi(5), one Bi(6), one Bi(8), and one Bi(9) atom. In the sixteenth Ni site, Ni(16) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(10), one Ni(12), one Ni(5), one Ni(7), one Ni(8), one Bi(1), one Bi(13), one Bi(15), one Bi(2), and one Bi(5) atom. There are sixteen inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Ni(10), one Ni(12), one Ni(16), one Ni(2), one Ni(7), and one Ni(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(11), one Ni(13), one Ni(16), one Ni(7), and one Ni(8) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one Ni(1), one Ni(10), one Ni(12), one Ni(3), one Ni(5), one Ni(7), and one Ni(8) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(13), one Ni(2), one Ni(4), one Ni(6), one Ni(7), and one Ni(8) atom. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), one Ni(16), one Ni(4), one Ni(5), and one Ni(9) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), one Ni(3), one Ni(6), and one Ni(9) atom. In the seventh Bi site, Bi(7) is bonded in a 5-coordinate geometry to one Ni(10), one Ni(14), one Ni(3), one Ni(5), and one Ni(9) atom. In the eighth Bi site, Bi(8) is bonded in a 5-coordinate geometry to one Ni(11), one Ni(15), one Ni(4), one Ni(6), and one Ni(9) atom. In the ninth Bi site, Bi(9) is bonded in a 5-coordinate geometry to one Ni(12), one Ni(15), one Ni(3), one Ni(5), and one Ni(9) atom. In the tenth Bi site, Bi(10) is bonded in a 5-coordinate geometry to one Ni(13), one Ni(14), one Ni(4), one Ni(6), and one Ni(9) atom. In the eleventh Bi site, Bi(11) is bonded in a 5-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), and one Ni(3) atom. In the twelfth Bi site, Bi(12) is bonded in a 5-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), and one Ni(4) atom. In the thirteenth Bi site, Bi(13) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(10), one Ni(16), one Ni(2), one Ni(5), and one Ni(7) atom. In the fourteenth Bi site, Bi(14) is bonded in a 5-coordinate geometry to one Ni(1), one Ni(11), one Ni(2), one Ni(6), and one Ni(7) atom. In the fifteenth Bi site, Bi(15) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(12), one Ni(16), one Ni(2), one Ni(5), and one Ni(8) atom. In the sixteenth Bi site, Bi(16) is bonded in a 5-coordinate geometry to one Ni(1), one Ni(13), one Ni(2), one Ni(6), and one Ni(8) atom. is represented by the CIF card [CIF]
data_NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.190
_cell_length_b   8.194
_cell_length_c   11.459
_cell_angle_alpha   79.760
_cell_angle_beta   79.592
_cell_angle_gamma   119.945
_symmetry_Int_Tables_number   1
_cell_volume   622.208
_cell_formula_units_Z   16
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
  Ni  Ni0  1  0.244  0.252  0.505  1.0
  Ni  Ni1  1  0.761  0.755  0.485  1.0
  Ni  Ni2  1  0.228  0.895  0.878  1.0
  Ni  Ni3  1  0.771  0.106  0.122  1.0
  Ni  Ni4  1  0.128  0.123  0.750  1.0
  Ni  Ni5  1  0.873  0.881  0.245  1.0
  Ni  Ni6  1  0.760  0.261  0.502  1.0
  Ni  Ni7  1  0.237  0.738  0.502  1.0
  Ni  Ni8  1  1.000  0.000  0.999  1.0
  Ni  Ni9  1  0.620  0.120  0.748  1.0
  Ni  Ni10  1  0.869  0.367  0.250  1.0
  Ni  Ni11  1  0.131  0.631  0.749  1.0
  Ni  Ni12  1  0.384  0.882  0.250  1.0
  Ni  Ni13  1  0.499  0.999  1.000  1.0
  Ni  Ni14  1  0.001  0.501  0.000  1.0
  Ni  Ni15  1  0.023  0.354  0.623  1.0
  Bi  Bi16  1  0.840  0.533  0.626  1.0
  Bi  Bi17  1  0.150  0.478  0.372  1.0
  Bi  Bi18  1  0.356  0.022  0.622  1.0
  Bi  Bi19  1  0.643  0.980  0.378  1.0
  Bi  Bi20  1  0.895  0.230  0.875  1.0
  Bi  Bi21  1  0.102  0.769  0.129  1.0
  Bi  Bi22  1  0.408  0.255  0.877  1.0
  Bi  Bi23  1  0.130  0.282  0.126  1.0
  Bi  Bi24  1  0.868  0.715  0.877  1.0
  Bi  Bi25  1  0.591  0.743  0.126  1.0
  Bi  Bi26  1  0.408  0.714  0.878  1.0
  Bi  Bi27  1  0.589  0.285  0.126  1.0
  Bi  Bi28  1  0.839  0.990  0.630  1.0
  Bi  Bi29  1  0.640  0.474  0.374  1.0
  Bi  Bi30  1  0.379  0.531  0.630  1.0
  Bi  Bi31  1  0.152  0.987  0.374  1.0
[/CIF]
.
The structure described by NiBi crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one Ni(16), one Ni(5), one Bi(13), one Bi(14), one Bi(15), one Bi(16), one Bi(2), and one Bi(3) atom. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(6), one Bi(1), one Bi(13), one Bi(14), one Bi(15), one Bi(16), and one Bi(4) atom. In the third Ni site, Ni(3) is bonded in a 11-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), one Ni(5), one Ni(9), one Bi(11), one Bi(3), one Bi(6), one Bi(7), and one Bi(9) atom. In the fourth Ni site, Ni(4) is bonded in a 11-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), one Ni(6), one Ni(9), one Bi(10), one Bi(12), one Bi(4), one Bi(5), and one Bi(8) atom. In the fifth Ni site, Ni(5) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(16), one Ni(3), one Ni(9), one Bi(13), one Bi(15), one Bi(3), one Bi(5), one Bi(7), and one Bi(9) atom. In the sixth Ni site, Ni(6) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(4), one Ni(9), one Bi(10), one Bi(14), one Bi(16), one Bi(4), one Bi(6), and one Bi(8) atom. In the seventh Ni site, Ni(7) is bonded in a 9-coordinate geometry to one Ni(10), one Ni(11), one Ni(16), one Bi(1), one Bi(13), one Bi(14), one Bi(2), one Bi(3), and one Bi(4) atom. In the eighth Ni site, Ni(8) is bonded in a 9-coordinate geometry to one Ni(12), one Ni(13), one Ni(16), one Bi(1), one Bi(15), one Bi(16), one Bi(2), one Bi(3), and one Bi(4) atom. In the ninth Ni site, Ni(9) is bonded in a 10-coordinate geometry to one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Bi(10), one Bi(5), one Bi(6), one Bi(7), one Bi(8), and one Bi(9) atom. In the tenth Ni site, Ni(10) is bonded in a 10-coordinate geometry to one Ni(14), one Ni(16), one Ni(3), one Ni(7), one Bi(1), one Bi(11), one Bi(13), one Bi(3), one Bi(5), and one Bi(7) atom. In the eleventh Ni site, Ni(11) is bonded in a 9-coordinate geometry to one Ni(15), one Ni(4), one Ni(7), one Bi(12), one Bi(14), one Bi(2), one Bi(4), one Bi(6), and one Bi(8) atom. In the twelfth Ni site, Ni(12) is bonded in a 10-coordinate geometry to one Ni(15), one Ni(16), one Ni(3), one Ni(8), one Bi(1), one Bi(11), one Bi(15), one Bi(3), one Bi(5), and one Bi(9) atom. In the thirteenth Ni site, Ni(13) is bonded in a 9-coordinate geometry to one Ni(14), one Ni(4), one Ni(8), one Bi(10), one Bi(12), one Bi(16), one Bi(2), one Bi(4), and one Bi(6) atom. In the fourteenth Ni site, Ni(14) is bonded in a 10-coordinate geometry to one Ni(10), one Ni(13), one Ni(3), one Ni(4), one Bi(10), one Bi(11), one Bi(12), one Bi(5), one Bi(6), and one Bi(7) atom. In the fifteenth Ni site, Ni(15) is bonded in a 10-coordinate geometry to one Ni(11), one Ni(12), one Ni(3), one Ni(4), one Bi(11), one Bi(12), one Bi(5), one Bi(6), one Bi(8), and one Bi(9) atom. In the sixteenth Ni site, Ni(16) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(10), one Ni(12), one Ni(5), one Ni(7), one Ni(8), one Bi(1), one Bi(13), one Bi(15), one Bi(2), and one Bi(5) atom. There are sixteen inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one Ni(10), one Ni(12), one Ni(16), one Ni(2), one Ni(7), and one Ni(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(11), one Ni(13), one Ni(16), one Ni(7), and one Ni(8) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one Ni(1), one Ni(10), one Ni(12), one Ni(3), one Ni(5), one Ni(7), and one Ni(8) atom. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(13), one Ni(2), one Ni(4), one Ni(6), one Ni(7), and one Ni(8) atom. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), one Ni(16), one Ni(4), one Ni(5), and one Ni(9) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), one Ni(3), one Ni(6), and one Ni(9) atom. In the seventh Bi site, Bi(7) is bonded in a 5-coordinate geometry to one Ni(10), one Ni(14), one Ni(3), one Ni(5), and one Ni(9) atom. In the eighth Bi site, Bi(8) is bonded in a 5-coordinate geometry to one Ni(11), one Ni(15), one Ni(4), one Ni(6), and one Ni(9) atom. In the ninth Bi site, Bi(9) is bonded in a 5-coordinate geometry to one Ni(12), one Ni(15), one Ni(3), one Ni(5), and one Ni(9) atom. In the tenth Bi site, Bi(10) is bonded in a 5-coordinate geometry to one Ni(13), one Ni(14), one Ni(4), one Ni(6), and one Ni(9) atom. In the eleventh Bi site, Bi(11) is bonded in a 5-coordinate geometry to one Ni(10), one Ni(12), one Ni(14), one Ni(15), and one Ni(3) atom. In the twelfth Bi site, Bi(12) is bonded in a 5-coordinate geometry to one Ni(11), one Ni(13), one Ni(14), one Ni(15), and one Ni(4) atom. In the thirteenth Bi site, Bi(13) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(10), one Ni(16), one Ni(2), one Ni(5), and one Ni(7) atom. In the fourteenth Bi site, Bi(14) is bonded in a 5-coordinate geometry to one Ni(1), one Ni(11), one Ni(2), one Ni(6), and one Ni(7) atom. In the fifteenth Bi site, Bi(15) is bonded in a 6-coordinate geometry to one Ni(1), one Ni(12), one Ni(16), one Ni(2), one Ni(5), and one Ni(8) atom. In the sixteenth Bi site, Bi(16) is bonded in a 5-coordinate geometry to one Ni(1), one Ni(13), one Ni(2), one Ni(6), and one Ni(8) atom. is represented by the CIF card [CIF]
data_NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.190
_cell_length_b   8.194
_cell_length_c   11.459
_cell_angle_alpha   79.760
_cell_angle_beta   79.592
_cell_angle_gamma   119.945
_symmetry_Int_Tables_number   1
_cell_volume   622.208
_cell_formula_units_Z   16
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
  Ni  Ni0  1  0.244  0.252  0.505  1.0
  Ni  Ni1  1  0.761  0.755  0.485  1.0
  Ni  Ni2  1  0.228  0.895  0.878  1.0
  Ni  Ni3  1  0.771  0.106  0.122  1.0
  Ni  Ni4  1  0.128  0.123  0.750  1.0
  Ni  Ni5  1  0.873  0.881  0.245  1.0
  Ni  Ni6  1  0.760  0.261  0.502  1.0
  Ni  Ni7  1  0.237  0.738  0.502  1.0
  Ni  Ni8  1  1.000  0.000  0.999  1.0
  Ni  Ni9  1  0.620  0.120  0.748  1.0
  Ni  Ni10  1  0.869  0.367  0.250  1.0
  Ni  Ni11  1  0.131  0.631  0.749  1.0
  Ni  Ni12  1  0.384  0.882  0.250  1.0
  Ni  Ni13  1  0.499  0.999  1.000  1.0
  Ni  Ni14  1  0.001  0.501  0.000  1.0
  Ni  Ni15  1  0.023  0.354  0.623  1.0
  Bi  Bi16  1  0.840  0.533  0.626  1.0
  Bi  Bi17  1  0.150  0.478  0.372  1.0
  Bi  Bi18  1  0.356  0.022  0.622  1.0
  Bi  Bi19  1  0.643  0.980  0.378  1.0
  Bi  Bi20  1  0.895  0.230  0.875  1.0
  Bi  Bi21  1  0.102  0.769  0.129  1.0
  Bi  Bi22  1  0.408  0.255  0.877  1.0
  Bi  Bi23  1  0.130  0.282  0.126  1.0
  Bi  Bi24  1  0.868  0.715  0.877  1.0
  Bi  Bi25  1  0.591  0.743  0.126  1.0
  Bi  Bi26  1  0.408  0.714  0.878  1.0
  Bi  Bi27  1  0.589  0.285  0.126  1.0
  Bi  Bi28  1  0.839  0.990  0.630  1.0
  Bi  Bi29  1  0.640  0.474  0.374  1.0
  Bi  Bi30  1  0.379  0.531  0.630  1.0
  Bi  Bi31  1  0.152  0.987  0.374  1.0
[/CIF]
.