The crystal structure described by Tb3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Al(1) atoms. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and twelve equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Tb(2), three equivalent Tb(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiTb5AlNi6 cuboctahedra that share corners with two equivalent Al(1)Tb6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Tb5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Tb5AlNi6 cuboctahedra, faces with three equivalent Al(1)Tb6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Tb5AlNi6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Tb(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Tb(2) and six equivalent Ni(1) atoms. Al(1) is bonded to six equivalent Tb(1) and six equivalent Ni(1) atoms to form AlTb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Tb5AlNi6 cuboctahedra, edges with six equivalent Al(1)Tb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Tb5AlNi6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   16.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.960
_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
  Tb  Tb0  1  0.333  0.667  0.955  1.0
  Tb  Tb1  1  0.667  0.333  0.045  1.0
  Tb  Tb2  1  0.667  0.333  0.455  1.0
  Tb  Tb3  1  0.333  0.667  0.545  1.0
  Tb  Tb4  1  0.333  0.667  0.750  1.0
  Tb  Tb5  1  0.667  0.333  0.250  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.169  0.831  0.374  1.0
  Ni  Ni9  1  0.169  0.338  0.374  1.0
  Ni  Ni10  1  0.662  0.831  0.374  1.0
  Ni  Ni11  1  0.831  0.169  0.626  1.0
  Ni  Ni12  1  0.831  0.662  0.626  1.0
  Ni  Ni13  1  0.338  0.169  0.626  1.0
  Ni  Ni14  1  0.831  0.169  0.874  1.0
  Ni  Ni15  1  0.831  0.662  0.874  1.0
  Ni  Ni16  1  0.338  0.169  0.874  1.0
  Ni  Ni17  1  0.169  0.831  0.126  1.0
  Ni  Ni18  1  0.169  0.338  0.126  1.0
  Ni  Ni19  1  0.662  0.831  0.126  1.0
  Ni  Ni20  1  0.333  0.667  0.250  1.0
  Ni  Ni21  1  0.667  0.333  0.750  1.0
  Ni  Ni22  1  0.000  0.000  0.250  1.0
  Ni  Ni23  1  0.000  0.000  0.750  1.0
[/CIF]
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The crystal structure described by Tb3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Al(1) atoms. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and twelve equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Tb(2), three equivalent Tb(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiTb5AlNi6 cuboctahedra that share corners with two equivalent Al(1)Tb6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Tb5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Tb5AlNi6 cuboctahedra, faces with three equivalent Al(1)Tb6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Tb5AlNi6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Tb(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Tb(2) and six equivalent Ni(1) atoms. Al(1) is bonded to six equivalent Tb(1) and six equivalent Ni(1) atoms to form AlTb6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Tb5AlNi6 cuboctahedra, edges with six equivalent Al(1)Tb6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Tb5AlNi6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.077
_cell_length_c   16.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.960
_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
  Tb  Tb0  1  0.333  0.667  0.955  1.0
  Tb  Tb1  1  0.667  0.333  0.045  1.0
  Tb  Tb2  1  0.667  0.333  0.455  1.0
  Tb  Tb3  1  0.333  0.667  0.545  1.0
  Tb  Tb4  1  0.333  0.667  0.750  1.0
  Tb  Tb5  1  0.667  0.333  0.250  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.169  0.831  0.374  1.0
  Ni  Ni9  1  0.169  0.338  0.374  1.0
  Ni  Ni10  1  0.662  0.831  0.374  1.0
  Ni  Ni11  1  0.831  0.169  0.626  1.0
  Ni  Ni12  1  0.831  0.662  0.626  1.0
  Ni  Ni13  1  0.338  0.169  0.626  1.0
  Ni  Ni14  1  0.831  0.169  0.874  1.0
  Ni  Ni15  1  0.831  0.662  0.874  1.0
  Ni  Ni16  1  0.338  0.169  0.874  1.0
  Ni  Ni17  1  0.169  0.831  0.126  1.0
  Ni  Ni18  1  0.169  0.338  0.126  1.0
  Ni  Ni19  1  0.662  0.831  0.126  1.0
  Ni  Ni20  1  0.333  0.667  0.250  1.0
  Ni  Ni21  1  0.667  0.333  0.750  1.0
  Ni  Ni22  1  0.000  0.000  0.250  1.0
  Ni  Ni23  1  0.000  0.000  0.750  1.0
[/CIF]
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