The structure described by CeNiB4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 20-coordinate geometry to four equivalent Ni(1), eight equivalent B(1), and eight equivalent B(2) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to four equivalent Ni(1), eight equivalent B(1), and eight equivalent B(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Ni(1), two equivalent B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ni(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CeNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   6.882
_cell_angle_alpha   112.832
_cell_angle_beta   112.832
_cell_angle_gamma   102.941
_symmetry_Int_Tables_number   1
_cell_volume   248.506
_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
  Ce  Ce0  1  0.799  0.799  0.000  1.0
  Ce  Ce1  1  0.201  0.201  0.000  1.0
  Ce  Ce2  1  0.750  0.250  0.500  1.0
  Ce  Ce3  1  0.250  0.750  0.500  1.0
  Ni  Ni4  1  0.272  0.500  0.772  1.0
  Ni  Ni5  1  0.728  0.500  0.228  1.0
  Ni  Ni6  1  0.500  0.728  0.228  1.0
  Ni  Ni7  1  0.500  0.272  0.772  1.0
  B  B8  1  0.274  0.111  0.386  1.0
  B  B9  1  0.726  0.889  0.614  1.0
  B  B10  1  0.274  0.889  0.163  1.0
  B  B11  1  0.726  0.111  0.837  1.0
  B  B12  1  0.111  0.726  0.837  1.0
  B  B13  1  0.889  0.274  0.163  1.0
  B  B14  1  0.111  0.274  0.386  1.0
  B  B15  1  0.889  0.726  0.614  1.0
  B  B16  1  0.113  0.113  0.532  1.0
  B  B17  1  0.582  0.582  0.468  1.0
  B  B18  1  0.113  0.582  0.000  1.0
  B  B19  1  0.582  0.113  0.000  1.0
  B  B20  1  0.887  0.887  0.468  1.0
  B  B21  1  0.418  0.418  0.532  1.0
  B  B22  1  0.887  0.418  0.000  1.0
  B  B23  1  0.418  0.887  0.000  1.0
[/CIF]
.
The structure described by CeNiB4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 20-coordinate geometry to four equivalent Ni(1), eight equivalent B(1), and eight equivalent B(2) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to four equivalent Ni(1), eight equivalent B(1), and eight equivalent B(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent B(1), and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Ni(1), two equivalent B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ni(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CeNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.882
_cell_length_b   6.882
_cell_length_c   6.882
_cell_angle_alpha   112.832
_cell_angle_beta   112.832
_cell_angle_gamma   102.941
_symmetry_Int_Tables_number   1
_cell_volume   248.506
_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
  Ce  Ce0  1  0.799  0.799  0.000  1.0
  Ce  Ce1  1  0.201  0.201  0.000  1.0
  Ce  Ce2  1  0.750  0.250  0.500  1.0
  Ce  Ce3  1  0.250  0.750  0.500  1.0
  Ni  Ni4  1  0.272  0.500  0.772  1.0
  Ni  Ni5  1  0.728  0.500  0.228  1.0
  Ni  Ni6  1  0.500  0.728  0.228  1.0
  Ni  Ni7  1  0.500  0.272  0.772  1.0
  B  B8  1  0.274  0.111  0.386  1.0
  B  B9  1  0.726  0.889  0.614  1.0
  B  B10  1  0.274  0.889  0.163  1.0
  B  B11  1  0.726  0.111  0.837  1.0
  B  B12  1  0.111  0.726  0.837  1.0
  B  B13  1  0.889  0.274  0.163  1.0
  B  B14  1  0.111  0.274  0.386  1.0
  B  B15  1  0.889  0.726  0.614  1.0
  B  B16  1  0.113  0.113  0.532  1.0
  B  B17  1  0.582  0.582  0.468  1.0
  B  B18  1  0.113  0.582  0.000  1.0
  B  B19  1  0.582  0.113  0.000  1.0
  B  B20  1  0.887  0.887  0.468  1.0
  B  B21  1  0.418  0.418  0.532  1.0
  B  B22  1  0.887  0.418  0.000  1.0
  B  B23  1  0.418  0.887  0.000  1.0
[/CIF]
.