The material structure described by U(NiAs)2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), four equivalent As(1), and four equivalent As(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent U(1) and four equivalent As(2) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent U(1), one As(2), and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to four equivalent U(1) and four equivalent Ni(2) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to four equivalent U(1), one Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_U(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   4.158
_cell_length_c   9.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.524
_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  0.248  1.0
  U  U1  1  0.500  0.000  0.752  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.619  1.0
  Ni  Ni5  1  0.500  0.000  0.381  1.0
  As  As6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.500  1.0
  As  As8  1  0.000  0.500  0.869  1.0
  As  As9  1  0.500  0.000  0.131  1.0
[/CIF]
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The material structure described by U(NiAs)2 crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), four equivalent As(1), and four equivalent As(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent U(1) and four equivalent As(2) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent U(1), one As(2), and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to four equivalent U(1) and four equivalent Ni(2) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to four equivalent U(1), one Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_U(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   4.158
_cell_length_c   9.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.524
_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  0.248  1.0
  U  U1  1  0.500  0.000  0.752  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.619  1.0
  Ni  Ni5  1  0.500  0.000  0.381  1.0
  As  As6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.500  1.0
  As  As8  1  0.000  0.500  0.869  1.0
  As  As9  1  0.500  0.000  0.131  1.0
[/CIF]
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