The structure described by GdNiB4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(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 Gd(1), two equivalent Gd(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 Gd(1), two equivalent Gd(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 Gd(1), two equivalent Gd(2), two equivalent Ni(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_GdNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.850
_cell_length_c   6.850
_cell_angle_alpha   112.888
_cell_angle_beta   112.888
_cell_angle_gamma   102.835
_symmetry_Int_Tables_number   1
_cell_volume   244.959
_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
  Gd  Gd0  1  0.203  0.203  0.000  1.0
  Gd  Gd1  1  0.797  0.797  0.000  1.0
  Gd  Gd2  1  0.750  0.250  0.500  1.0
  Gd  Gd3  1  0.250  0.750  0.500  1.0
  Ni  Ni4  1  0.500  0.271  0.771  1.0
  Ni  Ni5  1  0.500  0.729  0.229  1.0
  Ni  Ni6  1  0.729  0.500  0.229  1.0
  Ni  Ni7  1  0.271  0.500  0.771  1.0
  B  B8  1  0.112  0.276  0.387  1.0
  B  B9  1  0.888  0.724  0.613  1.0
  B  B10  1  0.888  0.276  0.164  1.0
  B  B11  1  0.112  0.724  0.836  1.0
  B  B12  1  0.724  0.888  0.613  1.0
  B  B13  1  0.276  0.112  0.387  1.0
  B  B14  1  0.724  0.112  0.836  1.0
  B  B15  1  0.276  0.888  0.164  1.0
  B  B16  1  0.418  0.418  0.531  1.0
  B  B17  1  0.887  0.887  0.469  1.0
  B  B18  1  0.582  0.113  0.000  1.0
  B  B19  1  0.113  0.582  0.000  1.0
  B  B20  1  0.582  0.582  0.469  1.0
  B  B21  1  0.113  0.113  0.531  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 GdNiB4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(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 Gd(1), two equivalent Gd(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 Gd(1), two equivalent Gd(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 Gd(1), two equivalent Gd(2), two equivalent Ni(1), one B(2), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_GdNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.850
_cell_length_c   6.850
_cell_angle_alpha   112.888
_cell_angle_beta   112.888
_cell_angle_gamma   102.835
_symmetry_Int_Tables_number   1
_cell_volume   244.959
_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
  Gd  Gd0  1  0.203  0.203  0.000  1.0
  Gd  Gd1  1  0.797  0.797  0.000  1.0
  Gd  Gd2  1  0.750  0.250  0.500  1.0
  Gd  Gd3  1  0.250  0.750  0.500  1.0
  Ni  Ni4  1  0.500  0.271  0.771  1.0
  Ni  Ni5  1  0.500  0.729  0.229  1.0
  Ni  Ni6  1  0.729  0.500  0.229  1.0
  Ni  Ni7  1  0.271  0.500  0.771  1.0
  B  B8  1  0.112  0.276  0.387  1.0
  B  B9  1  0.888  0.724  0.613  1.0
  B  B10  1  0.888  0.276  0.164  1.0
  B  B11  1  0.112  0.724  0.836  1.0
  B  B12  1  0.724  0.888  0.613  1.0
  B  B13  1  0.276  0.112  0.387  1.0
  B  B14  1  0.724  0.112  0.836  1.0
  B  B15  1  0.276  0.888  0.164  1.0
  B  B16  1  0.418  0.418  0.531  1.0
  B  B17  1  0.887  0.887  0.469  1.0
  B  B18  1  0.582  0.113  0.000  1.0
  B  B19  1  0.113  0.582  0.000  1.0
  B  B20  1  0.582  0.582  0.469  1.0
  B  B21  1  0.113  0.113  0.531  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]
.