The structure described by Ba(NiB)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 1-coordinate geometry to one Ni(1), one B(5), one B(6), and two equivalent B(8) atoms. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Ni(2), one B(5), one B(6), and two equivalent B(7) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Ni(8), two equivalent Ni(1), two equivalent Ni(2), one B(3), one B(4), one B(6), and one B(8) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Ni(7), two equivalent Ni(1), two equivalent Ni(2), one B(3), one B(4), one B(7), and two equivalent B(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), one Ni(2), one Ni(6), and two equivalent B(8) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ba(2), two equivalent Ba(3), two equivalent Ba(4), one Ni(1), one Ni(5), and two equivalent B(7) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one B(3), one B(7), and two equivalent B(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one B(4), one B(8), and two equivalent B(5) atoms. In the fifth Ni site, Ni(5) is bonded in a 5-coordinate geometry to one Ni(2), one B(6), two equivalent B(3), and two equivalent B(7) atoms. In the sixth Ni site, Ni(6) is bonded in a 5-coordinate geometry to one Ni(1), one B(5), two equivalent B(4), and two equivalent B(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to one Ba(4), one B(2), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Ba(3), one B(1), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to one Ni(8), two equivalent Ni(7), one B(2), and one B(5) atom. In the second B site, B(2) is bonded in a 5-coordinate geometry to one Ni(7), two equivalent Ni(8), one B(1), and one B(6) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Ba(3), one Ba(4), one Ni(3), two equivalent Ni(5), one B(4), and one B(7) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Ba(3), one Ba(4), one Ni(4), two equivalent Ni(6), one B(3), and one B(8) atom. In the fifth B site, B(5) is bonded in a 10-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Ni(6), two equivalent Ni(4), two equivalent Ni(7), and one B(1) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ni(5), two equivalent Ni(3), two equivalent Ni(8), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(2), one Ni(3), two equivalent Ni(2), two equivalent Ni(5), and one B(3) atom. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Ba(NiB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.710
_cell_length_b   8.070
_cell_length_c   10.983
_cell_angle_alpha   70.352
_cell_angle_beta   91.505
_cell_angle_gamma   85.342
_symmetry_Int_Tables_number   1
_cell_volume   308.099
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.492  0.700  0.369  1.0
  Ba  Ba1  1  0.505  0.299  0.631  1.0
  Ba  Ba2  1  0.034  0.865  0.854  1.0
  Ba  Ba3  1  0.976  0.135  0.146  1.0
  Ni  Ni4  1  0.524  0.842  0.086  1.0
  Ni  Ni5  1  0.483  0.158  0.914  1.0
  Ni  Ni6  1  0.969  0.573  0.714  1.0
  Ni  Ni7  1  0.029  0.427  0.287  1.0
  Ni  Ni8  1  0.502  0.473  0.854  1.0
  Ni  Ni9  1  0.495  0.527  0.146  1.0
  Ni  Ni10  1  0.096  0.141  0.430  1.0
  Ni  Ni11  1  0.901  0.859  0.570  1.0
  B  B12  1  0.612  0.077  0.445  1.0
  B  B13  1  0.385  0.923  0.555  1.0
  B  B14  1  0.008  0.471  0.935  1.0
  B  B15  1  0.989  0.530  0.064  1.0
  B  B16  1  0.555  0.298  0.340  1.0
  B  B17  1  0.443  0.702  0.659  1.0
  B  B18  1  0.016  0.323  0.859  1.0
  B  B19  1  0.985  0.676  0.142  1.0
[/CIF]
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The structure described by Ba(NiB)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 1-coordinate geometry to one Ni(1), one B(5), one B(6), and two equivalent B(8) atoms. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Ni(2), one B(5), one B(6), and two equivalent B(7) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Ni(8), two equivalent Ni(1), two equivalent Ni(2), one B(3), one B(4), one B(6), and one B(8) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Ni(7), two equivalent Ni(1), two equivalent Ni(2), one B(3), one B(4), one B(7), and two equivalent B(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), one Ni(2), one Ni(6), and two equivalent B(8) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ba(2), two equivalent Ba(3), two equivalent Ba(4), one Ni(1), one Ni(5), and two equivalent B(7) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one B(3), one B(7), and two equivalent B(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one B(4), one B(8), and two equivalent B(5) atoms. In the fifth Ni site, Ni(5) is bonded in a 5-coordinate geometry to one Ni(2), one B(6), two equivalent B(3), and two equivalent B(7) atoms. In the sixth Ni site, Ni(6) is bonded in a 5-coordinate geometry to one Ni(1), one B(5), two equivalent B(4), and two equivalent B(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to one Ba(4), one B(2), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Ba(3), one B(1), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to one Ni(8), two equivalent Ni(7), one B(2), and one B(5) atom. In the second B site, B(2) is bonded in a 5-coordinate geometry to one Ni(7), two equivalent Ni(8), one B(1), and one B(6) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Ba(3), one Ba(4), one Ni(3), two equivalent Ni(5), one B(4), and one B(7) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Ba(3), one Ba(4), one Ni(4), two equivalent Ni(6), one B(3), and one B(8) atom. In the fifth B site, B(5) is bonded in a 10-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Ni(6), two equivalent Ni(4), two equivalent Ni(7), and one B(1) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ni(5), two equivalent Ni(3), two equivalent Ni(8), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ba(4), two equivalent Ba(2), one Ni(3), two equivalent Ni(2), two equivalent Ni(5), and one B(3) atom. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Ba(NiB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.710
_cell_length_b   8.070
_cell_length_c   10.983
_cell_angle_alpha   70.352
_cell_angle_beta   91.505
_cell_angle_gamma   85.342
_symmetry_Int_Tables_number   1
_cell_volume   308.099
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.492  0.700  0.369  1.0
  Ba  Ba1  1  0.505  0.299  0.631  1.0
  Ba  Ba2  1  0.034  0.865  0.854  1.0
  Ba  Ba3  1  0.976  0.135  0.146  1.0
  Ni  Ni4  1  0.524  0.842  0.086  1.0
  Ni  Ni5  1  0.483  0.158  0.914  1.0
  Ni  Ni6  1  0.969  0.573  0.714  1.0
  Ni  Ni7  1  0.029  0.427  0.287  1.0
  Ni  Ni8  1  0.502  0.473  0.854  1.0
  Ni  Ni9  1  0.495  0.527  0.146  1.0
  Ni  Ni10  1  0.096  0.141  0.430  1.0
  Ni  Ni11  1  0.901  0.859  0.570  1.0
  B  B12  1  0.612  0.077  0.445  1.0
  B  B13  1  0.385  0.923  0.555  1.0
  B  B14  1  0.008  0.471  0.935  1.0
  B  B15  1  0.989  0.530  0.064  1.0
  B  B16  1  0.555  0.298  0.340  1.0
  B  B17  1  0.443  0.702  0.659  1.0
  B  B18  1  0.016  0.323  0.859  1.0
  B  B19  1  0.985  0.676  0.142  1.0
[/CIF]
.