The crystal structure described by Tm3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Al(1) atoms. In the second Tm site, Tm(2) is bonded in a distorted hexagonal planar 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 Tm(2), three equivalent Tm(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiTm5AlNi6 cuboctahedra that share corners with two equivalent Al(1)Tm6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Tm5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Tm5AlNi6 cuboctahedra, faces with three equivalent Al(1)Tm6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Tm5AlNi6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Ni(1) atoms. Al(1) is bonded to six equivalent Tm(1) and six equivalent Ni(1) atoms to form distorted AlTm6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Tm5AlNi6 cuboctahedra, edges with six equivalent Al(1)Tm6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Tm5AlNi6 cuboctahedra. is represented by the CIF card [CIF]
data_Tm3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.024
_cell_length_c   15.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.007
_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
  Tm  Tm0  1  0.333  0.667  0.956  1.0
  Tm  Tm1  1  0.667  0.333  0.044  1.0
  Tm  Tm2  1  0.667  0.333  0.456  1.0
  Tm  Tm3  1  0.333  0.667  0.544  1.0
  Tm  Tm4  1  0.333  0.667  0.750  1.0
  Tm  Tm5  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  0.375  1.0
  Ni  Ni9  1  0.169  0.338  0.375  1.0
  Ni  Ni10  1  0.662  0.831  0.375  1.0
  Ni  Ni11  1  0.831  0.169  0.625  1.0
  Ni  Ni12  1  0.831  0.662  0.625  1.0
  Ni  Ni13  1  0.338  0.169  0.625  1.0
  Ni  Ni14  1  0.831  0.169  0.875  1.0
  Ni  Ni15  1  0.831  0.662  0.875  1.0
  Ni  Ni16  1  0.338  0.169  0.875  1.0
  Ni  Ni17  1  0.169  0.831  0.125  1.0
  Ni  Ni18  1  0.169  0.338  0.125  1.0
  Ni  Ni19  1  0.662  0.831  0.125  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 Tm3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to nine equivalent Ni(1) and three equivalent Al(1) atoms. In the second Tm site, Tm(2) is bonded in a distorted hexagonal planar 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 Tm(2), three equivalent Tm(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiTm5AlNi6 cuboctahedra that share corners with two equivalent Al(1)Tm6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Tm5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Tm5AlNi6 cuboctahedra, faces with three equivalent Al(1)Tm6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Tm5AlNi6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Ni(1) atoms. Al(1) is bonded to six equivalent Tm(1) and six equivalent Ni(1) atoms to form distorted AlTm6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Tm5AlNi6 cuboctahedra, edges with six equivalent Al(1)Tm6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Tm5AlNi6 cuboctahedra. is represented by the CIF card [CIF]
data_Tm3AlNi8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   5.024
_cell_length_c   15.918
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.007
_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
  Tm  Tm0  1  0.333  0.667  0.956  1.0
  Tm  Tm1  1  0.667  0.333  0.044  1.0
  Tm  Tm2  1  0.667  0.333  0.456  1.0
  Tm  Tm3  1  0.333  0.667  0.544  1.0
  Tm  Tm4  1  0.333  0.667  0.750  1.0
  Tm  Tm5  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  0.375  1.0
  Ni  Ni9  1  0.169  0.338  0.375  1.0
  Ni  Ni10  1  0.662  0.831  0.375  1.0
  Ni  Ni11  1  0.831  0.169  0.625  1.0
  Ni  Ni12  1  0.831  0.662  0.625  1.0
  Ni  Ni13  1  0.338  0.169  0.625  1.0
  Ni  Ni14  1  0.831  0.169  0.875  1.0
  Ni  Ni15  1  0.831  0.662  0.875  1.0
  Ni  Ni16  1  0.338  0.169  0.875  1.0
  Ni  Ni17  1  0.169  0.831  0.125  1.0
  Ni  Ni18  1  0.169  0.338  0.125  1.0
  Ni  Ni19  1  0.662  0.831  0.125  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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