The material described by UFe5Al7 crystallizes in the orthorhombic Imm2 space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), eight equivalent Fe(1), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(2), two equivalent Fe(1), one Al(1), one Al(2), one Al(4), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted edge-sharing FeU2Al6Fe4 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one U(1), four equivalent Fe(1), one Al(2), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one U(1), one Fe(2), four equivalent Fe(1), one Al(3), one Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to two equivalent U(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(2), four equivalent Fe(1), one Al(1), one Al(2), one Al(4), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAl7Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.640
_cell_length_b   6.633
_cell_length_c   6.633
_cell_angle_alpha   135.919
_cell_angle_beta   98.109
_cell_angle_gamma   98.060
_symmetry_Int_Tables_number   1
_cell_volume   188.394
_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
  U  U0  1  0.993  0.000  0.993  1.0
  Al  Al1  1  0.341  1.000  0.341  1.0
  Al  Al2  1  0.654  0.000  0.654  1.0
  Al  Al3  1  0.661  0.654  0.007  1.0
  Al  Al4  1  0.352  0.346  0.007  1.0
  Al  Al5  1  0.225  0.500  0.725  1.0
  Al  Al6  1  0.211  0.713  0.498  1.0
  Al  Al7  1  0.785  0.287  0.497  1.0
  Fe  Fe8  1  0.503  0.000  0.000  1.0
  Fe  Fe9  1  0.503  0.503  0.503  1.0
  Fe  Fe10  1  0.000  0.497  0.000  1.0
  Fe  Fe11  1  0.000  1.000  0.503  1.0
  Fe  Fe12  1  0.771  0.500  0.271  1.0
[/CIF]
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The material described by UFe5Al7 crystallizes in the orthorhombic Imm2 space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), eight equivalent Fe(1), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and four equivalent Al(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(2), two equivalent Fe(1), one Al(1), one Al(2), one Al(4), two equivalent Al(3), and two equivalent Al(5) atoms. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms to form distorted edge-sharing FeU2Al6Fe4 cuboctahedra. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one U(1), four equivalent Fe(1), one Al(2), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Al(1), and two equivalent Al(5) atoms. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one U(1), one Fe(2), four equivalent Fe(1), one Al(3), one Al(4), and two equivalent Al(5) atoms. In the fourth Al site, Al(4) is bonded in a 12-coordinate geometry to two equivalent U(1), four equivalent Fe(1), two equivalent Al(1), two equivalent Al(3), and two equivalent Al(5) atoms. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to two equivalent U(1), one Fe(2), four equivalent Fe(1), one Al(1), one Al(2), one Al(4), and two equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAl7Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.640
_cell_length_b   6.633
_cell_length_c   6.633
_cell_angle_alpha   135.919
_cell_angle_beta   98.109
_cell_angle_gamma   98.060
_symmetry_Int_Tables_number   1
_cell_volume   188.394
_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
  U  U0  1  0.993  0.000  0.993  1.0
  Al  Al1  1  0.341  1.000  0.341  1.0
  Al  Al2  1  0.654  0.000  0.654  1.0
  Al  Al3  1  0.661  0.654  0.007  1.0
  Al  Al4  1  0.352  0.346  0.007  1.0
  Al  Al5  1  0.225  0.500  0.725  1.0
  Al  Al6  1  0.211  0.713  0.498  1.0
  Al  Al7  1  0.785  0.287  0.497  1.0
  Fe  Fe8  1  0.503  0.000  0.000  1.0
  Fe  Fe9  1  0.503  0.503  0.503  1.0
  Fe  Fe10  1  0.000  0.497  0.000  1.0
  Fe  Fe11  1  0.000  1.000  0.503  1.0
  Fe  Fe12  1  0.771  0.500  0.271  1.0
[/CIF]
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