The crystal structure described by Lu(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Cr(1) is bonded to two equivalent Lu(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrLu2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(2)Lu2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, edges with four equivalent Al(2)Lu2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(2)Lu2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Lu(1), four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Lu(1), four equivalent Cr(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlLu2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, corners with ten equivalent Al(2)Lu2Al6Cr4 cuboctahedra, edges with three equivalent Al(2)Lu2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, faces with seven equivalent Al(2)Lu2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Lu2Al8Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_Lu(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   81.929
_cell_angle_beta   67.994
_cell_angle_gamma   67.994
_symmetry_Int_Tables_number   1
_cell_volume   198.876
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.665  0.335  1.0
  Al  Al2  1  0.000  0.335  0.665  1.0
  Al  Al3  1  0.665  0.335  0.335  1.0
  Al  Al4  1  0.335  0.665  0.665  1.0
  Al  Al5  1  0.500  0.221  0.779  1.0
  Al  Al6  1  0.500  0.779  0.221  1.0
  Al  Al7  1  0.721  0.779  0.779  1.0
  Al  Al8  1  0.279  0.221  0.221  1.0
  Cr  Cr9  1  0.500  0.500  0.000  1.0
  Cr  Cr10  1  0.000  0.500  0.000  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Cr  Cr12  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Lu(CrAl2)4 crystallizes in the tetragonal I4/mmm space group. Lu(1) is bonded in a 20-coordinate geometry to eight equivalent Cr(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Cr(1) is bonded to two equivalent Lu(1), two equivalent Cr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted CrLu2Al8Cr2 cuboctahedra that share corners with eight equivalent Al(2)Lu2Al6Cr4 cuboctahedra, corners with ten equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, edges with four equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, edges with four equivalent Al(2)Lu2Al6Cr4 cuboctahedra, faces with six equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, and faces with eight equivalent Al(2)Lu2Al6Cr4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Lu(1), four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded to two equivalent Lu(1), four equivalent Cr(1), two equivalent Al(2), and four equivalent Al(1) atoms to form distorted AlLu2Al6Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, corners with ten equivalent Al(2)Lu2Al6Cr4 cuboctahedra, edges with three equivalent Al(2)Lu2Al6Cr4 cuboctahedra, edges with four equivalent Cr(1)Lu2Al8Cr2 cuboctahedra, faces with seven equivalent Al(2)Lu2Al6Cr4 cuboctahedra, and faces with eight equivalent Cr(1)Lu2Al8Cr2 cuboctahedra. is represented by the CIF card [CIF]
data_Lu(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.759
_cell_length_c   6.759
_cell_angle_alpha   81.929
_cell_angle_beta   67.994
_cell_angle_gamma   67.994
_symmetry_Int_Tables_number   1
_cell_volume   198.876
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.665  0.335  1.0
  Al  Al2  1  0.000  0.335  0.665  1.0
  Al  Al3  1  0.665  0.335  0.335  1.0
  Al  Al4  1  0.335  0.665  0.665  1.0
  Al  Al5  1  0.500  0.221  0.779  1.0
  Al  Al6  1  0.500  0.779  0.221  1.0
  Al  Al7  1  0.721  0.779  0.779  1.0
  Al  Al8  1  0.279  0.221  0.221  1.0
  Cr  Cr9  1  0.500  0.500  0.000  1.0
  Cr  Cr10  1  0.000  0.500  0.000  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Cr  Cr12  1  0.500  0.000  0.500  1.0
[/CIF]
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