The compound described by Tm(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cr(1) is bonded to two equivalent Tm(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrTm2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(1)Tm2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, edges with four equivalent Al(1)Tm2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(1)Tm2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Tm(1), four equivalent Cr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlTm2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, corners with ten equivalent Al(1)Tm2Al6Cr4 cuboctahedra, edges with three equivalent Al(1)Tm2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, faces with seven equivalent Al(1)Tm2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Tm2Al8Cr2 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tm(1), four equivalent Cr(1), one Al(2), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Tm(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.771
_cell_length_c   6.771
_cell_angle_alpha   97.998
_cell_angle_beta   97.998
_cell_angle_gamma   136.196
_symmetry_Int_Tables_number   1
_cell_volume   199.400
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.721  0.500  0.221  1.0
  Al  Al2  1  0.500  0.279  0.779  1.0
  Al  Al3  1  0.336  0.000  0.336  1.0
  Al  Al4  1  0.000  0.664  0.664  1.0
  Al  Al5  1  0.664  0.000  0.664  1.0
  Al  Al6  1  0.000  0.336  0.336  1.0
  Al  Al7  1  0.500  0.721  0.221  1.0
  Al  Al8  1  0.279  0.500  0.779  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  Cr  Cr10  1  0.000  0.000  0.500  1.0
  Cr  Cr11  1  0.000  0.500  0.000  1.0
  Cr  Cr12  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Tm(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(2), and eight equivalent Al(1) atoms. Cr(1) is bonded to two equivalent Tm(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrTm2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(1)Tm2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, edges with four equivalent Al(1)Tm2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(1)Tm2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Tm(1), four equivalent Cr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlTm2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, corners with ten equivalent Al(1)Tm2Al6Cr4 cuboctahedra, edges with three equivalent Al(1)Tm2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Tm2Al8Cr2 cuboctahedra, faces with seven equivalent Al(1)Tm2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Tm2Al8Cr2 cuboctahedra. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Tm(1), four equivalent Cr(1), one Al(2), and four equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Tm(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.771
_cell_length_c   6.771
_cell_angle_alpha   97.998
_cell_angle_beta   97.998
_cell_angle_gamma   136.196
_symmetry_Int_Tables_number   1
_cell_volume   199.400
_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  0.000  0.000  0.000  1.0
  Al  Al1  1  0.721  0.500  0.221  1.0
  Al  Al2  1  0.500  0.279  0.779  1.0
  Al  Al3  1  0.336  0.000  0.336  1.0
  Al  Al4  1  0.000  0.664  0.664  1.0
  Al  Al5  1  0.664  0.000  0.664  1.0
  Al  Al6  1  0.000  0.336  0.336  1.0
  Al  Al7  1  0.500  0.721  0.221  1.0
  Al  Al8  1  0.279  0.500  0.779  1.0
  Cr  Cr9  1  0.500  0.500  0.500  1.0
  Cr  Cr10  1  0.000  0.000  0.500  1.0
  Cr  Cr11  1  0.000  0.500  0.000  1.0
  Cr  Cr12  1  0.500  0.000  0.000  1.0
[/CIF]
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