The structure described by Ba2(Ni3B2)3 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ba(1) and four equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2(Ni3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.545
_cell_length_b   7.545
_cell_length_c   7.545
_cell_angle_alpha   83.420
_cell_angle_beta   83.420
_cell_angle_gamma   83.420
_symmetry_Int_Tables_number   1
_cell_volume   421.553
_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
  Ba  Ba0  1  0.623  0.623  0.623  1.0
  Ba  Ba1  1  0.877  0.877  0.877  1.0
  Ba  Ba2  1  0.377  0.377  0.377  1.0
  Ba  Ba3  1  0.123  0.123  0.123  1.0
  Ni  Ni4  1  0.424  0.933  0.391  1.0
  Ni  Ni5  1  0.076  0.109  0.567  1.0
  Ni  Ni6  1  0.933  0.391  0.424  1.0
  Ni  Ni7  1  0.567  0.076  0.109  1.0
  Ni  Ni8  1  0.609  0.576  0.067  1.0
  Ni  Ni9  1  0.576  0.067  0.609  1.0
  Ni  Ni10  1  0.067  0.609  0.576  1.0
  Ni  Ni11  1  0.924  0.891  0.433  1.0
  Ni  Ni12  1  0.891  0.433  0.924  1.0
  Ni  Ni13  1  0.433  0.924  0.891  1.0
  Ni  Ni14  1  0.750  0.285  0.215  1.0
  Ni  Ni15  1  0.215  0.750  0.285  1.0
  Ni  Ni16  1  0.285  0.215  0.750  1.0
  Ni  Ni17  1  0.250  0.715  0.785  1.0
  Ni  Ni18  1  0.785  0.250  0.715  1.0
  Ni  Ni19  1  0.715  0.785  0.250  1.0
  Ni  Ni20  1  0.109  0.567  0.076  1.0
  Ni  Ni21  1  0.391  0.424  0.933  1.0
  B  B22  1  0.535  0.188  0.847  1.0
  B  B23  1  0.847  0.535  0.188  1.0
  B  B24  1  0.188  0.847  0.535  1.0
  B  B25  1  0.965  0.653  0.312  1.0
  B  B26  1  0.465  0.812  0.153  1.0
  B  B27  1  0.153  0.465  0.812  1.0
  B  B28  1  0.812  0.153  0.465  1.0
  B  B29  1  0.035  0.347  0.688  1.0
  B  B30  1  0.688  0.035  0.347  1.0
  B  B31  1  0.347  0.688  0.035  1.0
  B  B32  1  0.312  0.965  0.653  1.0
  B  B33  1  0.653  0.312  0.965  1.0
[/CIF]
.
The structure described by Ba2(Ni3B2)3 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ba(1) and four equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent B(1) atoms. B(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2(Ni3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.545
_cell_length_b   7.545
_cell_length_c   7.545
_cell_angle_alpha   83.420
_cell_angle_beta   83.420
_cell_angle_gamma   83.420
_symmetry_Int_Tables_number   1
_cell_volume   421.553
_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
  Ba  Ba0  1  0.623  0.623  0.623  1.0
  Ba  Ba1  1  0.877  0.877  0.877  1.0
  Ba  Ba2  1  0.377  0.377  0.377  1.0
  Ba  Ba3  1  0.123  0.123  0.123  1.0
  Ni  Ni4  1  0.424  0.933  0.391  1.0
  Ni  Ni5  1  0.076  0.109  0.567  1.0
  Ni  Ni6  1  0.933  0.391  0.424  1.0
  Ni  Ni7  1  0.567  0.076  0.109  1.0
  Ni  Ni8  1  0.609  0.576  0.067  1.0
  Ni  Ni9  1  0.576  0.067  0.609  1.0
  Ni  Ni10  1  0.067  0.609  0.576  1.0
  Ni  Ni11  1  0.924  0.891  0.433  1.0
  Ni  Ni12  1  0.891  0.433  0.924  1.0
  Ni  Ni13  1  0.433  0.924  0.891  1.0
  Ni  Ni14  1  0.750  0.285  0.215  1.0
  Ni  Ni15  1  0.215  0.750  0.285  1.0
  Ni  Ni16  1  0.285  0.215  0.750  1.0
  Ni  Ni17  1  0.250  0.715  0.785  1.0
  Ni  Ni18  1  0.785  0.250  0.715  1.0
  Ni  Ni19  1  0.715  0.785  0.250  1.0
  Ni  Ni20  1  0.109  0.567  0.076  1.0
  Ni  Ni21  1  0.391  0.424  0.933  1.0
  B  B22  1  0.535  0.188  0.847  1.0
  B  B23  1  0.847  0.535  0.188  1.0
  B  B24  1  0.188  0.847  0.535  1.0
  B  B25  1  0.965  0.653  0.312  1.0
  B  B26  1  0.465  0.812  0.153  1.0
  B  B27  1  0.153  0.465  0.812  1.0
  B  B28  1  0.812  0.153  0.465  1.0
  B  B29  1  0.035  0.347  0.688  1.0
  B  B30  1  0.688  0.035  0.347  1.0
  B  B31  1  0.347  0.688  0.035  1.0
  B  B32  1  0.312  0.965  0.653  1.0
  B  B33  1  0.653  0.312  0.965  1.0
[/CIF]
.