The material described by Tb2Ni17 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 18-coordinate geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a 20-coordinate geometry to two equivalent Ni(3), six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Tb(2), two equivalent Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form distorted NiTb3Ni9 cuboctahedra that share corners with five equivalent Ni(4)Tb2Ni10 cuboctahedra, corners with ten equivalent Ni(1)Tb3Ni9 cuboctahedra, edges with three equivalent Ni(4)Tb2Ni10 cuboctahedra, edges with five equivalent Ni(1)Tb3Ni9 cuboctahedra, faces with two equivalent Ni(4)Tb2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Tb3Ni9 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to one Tb(1), one Tb(2), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 14-coordinate geometry to one Tb(2), one Ni(3), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded to two equivalent Tb(2), two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms to form NiTb2Ni10 cuboctahedra that share corners with four equivalent Ni(4)Tb2Ni10 cuboctahedra, corners with ten equivalent Ni(1)Tb3Ni9 cuboctahedra, edges with six equivalent Ni(1)Tb3Ni9 cuboctahedra, faces with four equivalent Ni(1)Tb3Ni9 cuboctahedra, and faces with six equivalent Ni(4)Tb2Ni10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.274
_cell_length_b   8.274
_cell_length_c   8.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.655
_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  0.000  0.000  0.250  1.0
  Tb  Tb1  1  0.667  0.333  0.250  1.0
  Tb  Tb2  1  0.000  0.000  0.750  1.0
  Tb  Tb3  1  0.333  0.667  0.750  1.0
  Ni  Ni4  1  0.166  0.331  0.521  1.0
  Ni  Ni5  1  0.669  0.834  0.521  1.0
  Ni  Ni6  1  0.629  0.957  0.250  1.0
  Ni  Ni7  1  0.667  0.333  0.602  1.0
  Ni  Ni8  1  0.371  0.043  0.750  1.0
  Ni  Ni9  1  0.331  0.166  0.479  1.0
  Ni  Ni10  1  0.331  0.166  0.021  1.0
  Ni  Ni11  1  0.328  0.957  0.250  1.0
  Ni  Ni12  1  0.500  0.000  0.000  1.0
  Ni  Ni13  1  0.166  0.834  0.979  1.0
  Ni  Ni14  1  0.328  0.371  0.250  1.0
  Ni  Ni15  1  0.672  0.043  0.750  1.0
  Ni  Ni16  1  0.333  0.667  0.398  1.0
  Ni  Ni17  1  0.834  0.166  0.479  1.0
  Ni  Ni18  1  0.500  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.500  0.500  1.0
  Ni  Ni20  1  0.333  0.667  0.102  1.0
  Ni  Ni21  1  0.957  0.629  0.750  1.0
  Ni  Ni22  1  0.957  0.328  0.750  1.0
  Ni  Ni23  1  0.000  0.500  0.000  1.0
  Ni  Ni24  1  0.834  0.669  0.479  1.0
  Ni  Ni25  1  0.834  0.166  0.021  1.0
  Ni  Ni26  1  0.371  0.328  0.750  1.0
  Ni  Ni27  1  0.834  0.669  0.021  1.0
  Ni  Ni28  1  0.166  0.834  0.521  1.0
  Ni  Ni29  1  0.500  0.500  0.500  1.0
  Ni  Ni30  1  0.166  0.331  0.979  1.0
  Ni  Ni31  1  0.672  0.629  0.750  1.0
  Ni  Ni32  1  0.667  0.333  0.898  1.0
  Ni  Ni33  1  0.629  0.672  0.250  1.0
  Ni  Ni34  1  0.043  0.371  0.250  1.0
  Ni  Ni35  1  0.669  0.834  0.979  1.0
  Ni  Ni36  1  0.043  0.672  0.250  1.0
  Ni  Ni37  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Tb2Ni17 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 18-coordinate geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a 20-coordinate geometry to two equivalent Ni(3), six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Tb(2), two equivalent Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form distorted NiTb3Ni9 cuboctahedra that share corners with five equivalent Ni(4)Tb2Ni10 cuboctahedra, corners with ten equivalent Ni(1)Tb3Ni9 cuboctahedra, edges with three equivalent Ni(4)Tb2Ni10 cuboctahedra, edges with five equivalent Ni(1)Tb3Ni9 cuboctahedra, faces with two equivalent Ni(4)Tb2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Tb3Ni9 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to one Tb(1), one Tb(2), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 14-coordinate geometry to one Tb(2), one Ni(3), three equivalent Ni(1), three equivalent Ni(4), and six equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded to two equivalent Tb(2), two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms to form NiTb2Ni10 cuboctahedra that share corners with four equivalent Ni(4)Tb2Ni10 cuboctahedra, corners with ten equivalent Ni(1)Tb3Ni9 cuboctahedra, edges with six equivalent Ni(1)Tb3Ni9 cuboctahedra, faces with four equivalent Ni(1)Tb3Ni9 cuboctahedra, and faces with six equivalent Ni(4)Tb2Ni10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.274
_cell_length_b   8.274
_cell_length_c   8.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.655
_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  0.000  0.000  0.250  1.0
  Tb  Tb1  1  0.667  0.333  0.250  1.0
  Tb  Tb2  1  0.000  0.000  0.750  1.0
  Tb  Tb3  1  0.333  0.667  0.750  1.0
  Ni  Ni4  1  0.166  0.331  0.521  1.0
  Ni  Ni5  1  0.669  0.834  0.521  1.0
  Ni  Ni6  1  0.629  0.957  0.250  1.0
  Ni  Ni7  1  0.667  0.333  0.602  1.0
  Ni  Ni8  1  0.371  0.043  0.750  1.0
  Ni  Ni9  1  0.331  0.166  0.479  1.0
  Ni  Ni10  1  0.331  0.166  0.021  1.0
  Ni  Ni11  1  0.328  0.957  0.250  1.0
  Ni  Ni12  1  0.500  0.000  0.000  1.0
  Ni  Ni13  1  0.166  0.834  0.979  1.0
  Ni  Ni14  1  0.328  0.371  0.250  1.0
  Ni  Ni15  1  0.672  0.043  0.750  1.0
  Ni  Ni16  1  0.333  0.667  0.398  1.0
  Ni  Ni17  1  0.834  0.166  0.479  1.0
  Ni  Ni18  1  0.500  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.500  0.500  1.0
  Ni  Ni20  1  0.333  0.667  0.102  1.0
  Ni  Ni21  1  0.957  0.629  0.750  1.0
  Ni  Ni22  1  0.957  0.328  0.750  1.0
  Ni  Ni23  1  0.000  0.500  0.000  1.0
  Ni  Ni24  1  0.834  0.669  0.479  1.0
  Ni  Ni25  1  0.834  0.166  0.021  1.0
  Ni  Ni26  1  0.371  0.328  0.750  1.0
  Ni  Ni27  1  0.834  0.669  0.021  1.0
  Ni  Ni28  1  0.166  0.834  0.521  1.0
  Ni  Ni29  1  0.500  0.500  0.500  1.0
  Ni  Ni30  1  0.166  0.331  0.979  1.0
  Ni  Ni31  1  0.672  0.629  0.750  1.0
  Ni  Ni32  1  0.667  0.333  0.898  1.0
  Ni  Ni33  1  0.629  0.672  0.250  1.0
  Ni  Ni34  1  0.043  0.371  0.250  1.0
  Ni  Ni35  1  0.669  0.834  0.979  1.0
  Ni  Ni36  1  0.043  0.672  0.250  1.0
  Ni  Ni37  1  0.500  0.500  0.000  1.0
[/CIF]
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