The material described by TmNi4Al crystallizes in the orthorhombic Cmmm space group. Tm(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), eight equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tm(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing NiTm4Al2Ni6 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_TmAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   4.820
_cell_length_c   3.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.512
_symmetry_Int_Tables_number   1
_cell_volume   81.123
_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
  Tm  Tm0  1  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.000  1.0
  Ni  Ni3  1  0.832  0.168  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by TmNi4Al crystallizes in the orthorhombic Cmmm space group. Tm(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), eight equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tm(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form a mixture of distorted corner, edge, and face-sharing NiTm4Al2Ni6 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to four equivalent Tm(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_TmAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.820
_cell_length_b   4.820
_cell_length_c   3.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.512
_symmetry_Int_Tables_number   1
_cell_volume   81.123
_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
  Tm  Tm0  1  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.000  1.0
  Ni  Ni3  1  0.832  0.168  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
[/CIF]
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