The structure described by UCoAl4 crystallizes in the hexagonal P-62m space group. U(1) is bonded in a 15-coordinate geometry to two equivalent Co(1), two equivalent Al(2), three equivalent Al(1), and eight equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to three equivalent U(1) and six equivalent Al(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent U(1), one Co(2), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Co(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted water-like geometry to four equivalent U(1), two equivalent Co(1), one Al(2), two equivalent Al(1), and three equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.104
_cell_length_b   9.104
_cell_length_c   4.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.918
_cell_formula_units_Z   3
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
  U  U0  1  0.000  0.409  0.000  1.0
  U  U1  1  0.591  0.591  0.000  1.0
  U  U2  1  0.409  0.000  0.000  1.0
  Al  Al3  1  0.000  0.742  0.000  1.0
  Al  Al4  1  0.258  0.258  0.000  1.0
  Al  Al5  1  0.742  0.000  0.000  1.0
  Al  Al6  1  0.000  0.169  0.500  1.0
  Al  Al7  1  0.831  0.831  0.500  1.0
  Al  Al8  1  0.169  0.000  0.500  1.0
  Al  Al9  1  0.297  0.480  0.500  1.0
  Al  Al10  1  0.183  0.703  0.500  1.0
  Al  Al11  1  0.520  0.817  0.500  1.0
  Al  Al12  1  0.817  0.520  0.500  1.0
  Al  Al13  1  0.703  0.183  0.500  1.0
  Al  Al14  1  0.480  0.297  0.500  1.0
  Co  Co15  1  0.667  0.333  0.000  1.0
  Co  Co16  1  0.333  0.667  0.000  1.0
  Co  Co17  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by UCoAl4 crystallizes in the hexagonal P-62m space group. U(1) is bonded in a 15-coordinate geometry to two equivalent Co(1), two equivalent Al(2), three equivalent Al(1), and eight equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to three equivalent U(1) and six equivalent Al(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent U(1), one Co(2), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Co(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted water-like geometry to four equivalent U(1), two equivalent Co(1), one Al(2), two equivalent Al(1), and three equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.104
_cell_length_b   9.104
_cell_length_c   4.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.918
_cell_formula_units_Z   3
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
  U  U0  1  0.000  0.409  0.000  1.0
  U  U1  1  0.591  0.591  0.000  1.0
  U  U2  1  0.409  0.000  0.000  1.0
  Al  Al3  1  0.000  0.742  0.000  1.0
  Al  Al4  1  0.258  0.258  0.000  1.0
  Al  Al5  1  0.742  0.000  0.000  1.0
  Al  Al6  1  0.000  0.169  0.500  1.0
  Al  Al7  1  0.831  0.831  0.500  1.0
  Al  Al8  1  0.169  0.000  0.500  1.0
  Al  Al9  1  0.297  0.480  0.500  1.0
  Al  Al10  1  0.183  0.703  0.500  1.0
  Al  Al11  1  0.520  0.817  0.500  1.0
  Al  Al12  1  0.817  0.520  0.500  1.0
  Al  Al13  1  0.703  0.183  0.500  1.0
  Al  Al14  1  0.480  0.297  0.500  1.0
  Co  Co15  1  0.667  0.333  0.000  1.0
  Co  Co16  1  0.333  0.667  0.000  1.0
  Co  Co17  1  0.000  0.000  0.000  1.0
[/CIF]
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