The crystal structure described by TbNi2B2C crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Ni(1) is bonded to four equivalent B(1) atoms to form distorted NiB4 tetrahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with four equivalent Ni(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. C(1) is bonded to four equivalent Tb(1) and two equivalent B(1) atoms to form distorted CTb4B2 octahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with eight equivalent Ni(1)B4 tetrahedra, and edges with four equivalent C(1)Tb4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_TbNi2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   5.733
_cell_length_c   5.733
_cell_angle_alpha   143.757
_cell_angle_beta   143.757
_cell_angle_gamma   52.190
_symmetry_Int_Tables_number   1
_cell_volume   65.495
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.750  0.250  0.500  1.0
  Ni  Ni2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.355  0.355  0.000  1.0
  B  B4  1  0.645  0.645  0.000  1.0
  C  C5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by TbNi2B2C crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Ni(1) is bonded to four equivalent B(1) atoms to form distorted NiB4 tetrahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, and edges with four equivalent Ni(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. B(1) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. C(1) is bonded to four equivalent Tb(1) and two equivalent B(1) atoms to form distorted CTb4B2 octahedra that share corners with four equivalent C(1)Tb4B2 octahedra, corners with eight equivalent Ni(1)B4 tetrahedra, and edges with four equivalent C(1)Tb4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_TbNi2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   5.733
_cell_length_c   5.733
_cell_angle_alpha   143.757
_cell_angle_beta   143.757
_cell_angle_gamma   52.190
_symmetry_Int_Tables_number   1
_cell_volume   65.495
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.750  0.250  0.500  1.0
  Ni  Ni2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.355  0.355  0.000  1.0
  B  B4  1  0.645  0.645  0.000  1.0
  C  C5  1  0.500  0.500  0.000  1.0
[/CIF]
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