The crystal structure described by Tm(CrAl)6 crystallizes in the orthorhombic Immm space group. Tm(1) is bonded in a 20-coordinate geometry to four equivalent Cr(2), eight equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Tm(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CrTm2Al6Cr4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Tm(1), four equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CrTm2Al6Cr4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Tm(1), two equivalent Cr(2), four equivalent Cr(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Tm(1), two equivalent Cr(2), four equivalent Cr(1), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Cr(2), four equivalent Cr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(AlCr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.680
_cell_length_b   6.680
_cell_length_c   6.680
_cell_angle_alpha   135.580
_cell_angle_beta   98.891
_cell_angle_gamma   97.540
_symmetry_Int_Tables_number   1
_cell_volume   193.139
_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  0.346  0.000  0.346  1.0
  Al  Al2  1  0.654  0.000  0.654  1.0
  Al  Al3  1  0.332  0.332  0.000  1.0
  Al  Al4  1  0.668  0.668  0.000  1.0
  Al  Al5  1  0.807  0.500  0.307  1.0
  Al  Al6  1  0.193  0.500  0.693  1.0
  Cr  Cr7  1  0.000  0.500  0.000  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.500  0.000  0.000  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.761  0.261  0.500  1.0
  Cr  Cr12  1  0.239  0.739  0.500  1.0
[/CIF]
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The crystal structure described by Tm(CrAl)6 crystallizes in the orthorhombic Immm space group. Tm(1) is bonded in a 20-coordinate geometry to four equivalent Cr(2), eight equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Tm(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CrTm2Al6Cr4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Tm(1), four equivalent Cr(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms to form a mixture of distorted edge, face, and corner-sharing CrTm2Al6Cr4 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Tm(1), two equivalent Cr(2), four equivalent Cr(1), one Al(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Tm(1), two equivalent Cr(2), four equivalent Cr(1), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to two equivalent Tm(1), two equivalent Cr(2), four equivalent Cr(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm(AlCr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.680
_cell_length_b   6.680
_cell_length_c   6.680
_cell_angle_alpha   135.580
_cell_angle_beta   98.891
_cell_angle_gamma   97.540
_symmetry_Int_Tables_number   1
_cell_volume   193.139
_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  0.346  0.000  0.346  1.0
  Al  Al2  1  0.654  0.000  0.654  1.0
  Al  Al3  1  0.332  0.332  0.000  1.0
  Al  Al4  1  0.668  0.668  0.000  1.0
  Al  Al5  1  0.807  0.500  0.307  1.0
  Al  Al6  1  0.193  0.500  0.693  1.0
  Cr  Cr7  1  0.000  0.500  0.000  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.500  0.000  0.000  1.0
  Cr  Cr10  1  0.500  0.500  0.500  1.0
  Cr  Cr11  1  0.761  0.261  0.500  1.0
  Cr  Cr12  1  0.239  0.739  0.500  1.0
[/CIF]
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