The structure described by TbY2Ni6(B2C)3 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Y(1) is bonded in a rectangular see-saw-like geometry to four equivalent C(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent B(1,2) and two equivalent B(3) atoms to form NiB4 tetrahedra that share corners with two equivalent C(1)Tb4B2 octahedra, corners with two equivalent C(2)Y4B2 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 58°. In the second Ni site, Ni(2) is bonded to four equivalent B(1,2) atoms to form NiB4 tetrahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent Ni(2)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent B sites. In the first B site, B(1,2) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(2) atom. In the second B site, B(3) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Tb(1) and two equivalent B(3) 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. In the second C site, C(2) is bonded to four equivalent Y(1) and two equivalent B(1,2) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(2)Y4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TbY2Ni6(B2C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.872
_cell_length_b   15.872
_cell_length_c   15.872
_cell_angle_alpha   167.167
_cell_angle_beta   167.167
_cell_angle_gamma   18.186
_symmetry_Int_Tables_number   1
_cell_volume   197.215
_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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.167  0.167  0.000  1.0
  Y  Y2  1  0.833  0.833  0.000  1.0
  Ni  Ni3  1  0.583  0.083  0.500  1.0
  Ni  Ni4  1  0.250  0.750  0.500  1.0
  Ni  Ni5  1  0.917  0.417  0.500  1.0
  Ni  Ni6  1  0.083  0.583  0.500  1.0
  Ni  Ni7  1  0.750  0.250  0.500  1.0
  Ni  Ni8  1  0.417  0.917  0.500  1.0
  B  B9  1  0.619  0.619  0.000  1.0
  B  B10  1  0.286  0.286  0.000  1.0
  B  B11  1  0.952  0.952  0.000  1.0
  B  B12  1  0.048  0.048  0.000  1.0
  B  B13  1  0.714  0.714  0.000  1.0
  B  B14  1  0.381  0.381  0.000  1.0
  C  C15  1  0.000  0.000  0.000  1.0
  C  C16  1  0.667  0.667  0.000  1.0
  C  C17  1  0.333  0.333  0.000  1.0
[/CIF]
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The structure described by TbY2Ni6(B2C)3 crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Y(1) is bonded in a rectangular see-saw-like geometry to four equivalent C(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent B(1,2) and two equivalent B(3) atoms to form NiB4 tetrahedra that share corners with two equivalent C(1)Tb4B2 octahedra, corners with two equivalent C(2)Y4B2 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 58°. In the second Ni site, Ni(2) is bonded to four equivalent B(1,2) atoms to form NiB4 tetrahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent Ni(2)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent B sites. In the first B site, B(1,2) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(2) atom. In the second B site, B(3) is bonded in a distorted single-bond geometry to four equivalent Ni(1) and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Tb(1) and two equivalent B(3) 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. In the second C site, C(2) is bonded to four equivalent Y(1) and two equivalent B(1,2) atoms to form distorted CY4B2 octahedra that share corners with four equivalent C(2)Y4B2 octahedra, corners with four equivalent Ni(1)B4 tetrahedra, corners with four equivalent Ni(2)B4 tetrahedra, and edges with four equivalent C(2)Y4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TbY2Ni6(B2C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.872
_cell_length_b   15.872
_cell_length_c   15.872
_cell_angle_alpha   167.167
_cell_angle_beta   167.167
_cell_angle_gamma   18.186
_symmetry_Int_Tables_number   1
_cell_volume   197.215
_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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.167  0.167  0.000  1.0
  Y  Y2  1  0.833  0.833  0.000  1.0
  Ni  Ni3  1  0.583  0.083  0.500  1.0
  Ni  Ni4  1  0.250  0.750  0.500  1.0
  Ni  Ni5  1  0.917  0.417  0.500  1.0
  Ni  Ni6  1  0.083  0.583  0.500  1.0
  Ni  Ni7  1  0.750  0.250  0.500  1.0
  Ni  Ni8  1  0.417  0.917  0.500  1.0
  B  B9  1  0.619  0.619  0.000  1.0
  B  B10  1  0.286  0.286  0.000  1.0
  B  B11  1  0.952  0.952  0.000  1.0
  B  B12  1  0.048  0.048  0.000  1.0
  B  B13  1  0.714  0.714  0.000  1.0
  B  B14  1  0.381  0.381  0.000  1.0
  C  C15  1  0.000  0.000  0.000  1.0
  C  C16  1  0.667  0.667  0.000  1.0
  C  C17  1  0.333  0.333  0.000  1.0
[/CIF]
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