The crystal structure described by UFeAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to four equivalent Fe(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted UFe4As8 cuboctahedra that share corners with four equivalent U(1)Fe4As8 cuboctahedra, corners with eight equivalent Fe(1)U4As4 tetrahedra, edges with eight equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent Fe(1)U4As4 tetrahedra, and faces with four equivalent U(1)Fe4As8 cuboctahedra. Fe(1) is bonded to four equivalent U(1) and four equivalent As(2) atoms to form distorted FeU4As4 tetrahedra that share corners with eight equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent Fe(1)U4As4 tetrahedra, and faces with four equivalent Fe(1)U4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_UFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   3.965
_cell_length_c   9.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.253
_cell_formula_units_Z   2
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  0.500  0.763  1.0
  U  U1  1  0.500  0.000  0.237  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.500  0.500  0.000  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.000  0.500  0.337  1.0
  As  As7  1  0.500  0.000  0.663  1.0
[/CIF]
.
The crystal structure described by UFeAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded to four equivalent Fe(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted UFe4As8 cuboctahedra that share corners with four equivalent U(1)Fe4As8 cuboctahedra, corners with eight equivalent Fe(1)U4As4 tetrahedra, edges with eight equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent Fe(1)U4As4 tetrahedra, and faces with four equivalent U(1)Fe4As8 cuboctahedra. Fe(1) is bonded to four equivalent U(1) and four equivalent As(2) atoms to form distorted FeU4As4 tetrahedra that share corners with eight equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent U(1)Fe4As8 cuboctahedra, edges with four equivalent Fe(1)U4As4 tetrahedra, and faces with four equivalent Fe(1)U4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_UFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.965
_cell_length_b   3.965
_cell_length_c   9.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.253
_cell_formula_units_Z   2
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  0.500  0.763  1.0
  U  U1  1  0.500  0.000  0.237  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.500  0.500  0.000  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.000  0.500  0.337  1.0
  As  As7  1  0.500  0.000  0.663  1.0
[/CIF]
.