The material described by YbCuAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Yb(1) is bonded to four equivalent Cu(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted YbCu4As8 cuboctahedra that share corners with four equivalent Yb(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)Yb4As4 tetrahedra, edges with eight equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)Yb4As4 tetrahedra, and faces with four equivalent Yb(1)Cu4As8 cuboctahedra. Cu(1) is bonded to four equivalent Yb(1) and four equivalent As(2) atoms to form distorted CuYb4As4 tetrahedra that share corners with eight equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)Yb4As4 tetrahedra, and faces with four equivalent Cu(1)Yb4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Yb(1) and four equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Yb(1) and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YbCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   3.924
_cell_length_c   9.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.117
_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
  Yb  Yb0  1  0.250  0.250  0.245  1.0
  Yb  Yb1  1  0.750  0.750  0.755  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  As  As4  1  0.750  0.250  0.000  1.0
  As  As5  1  0.250  0.750  0.000  1.0
  As  As6  1  0.750  0.750  0.354  1.0
  As  As7  1  0.250  0.250  0.646  1.0
[/CIF]
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The material described by YbCuAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Yb(1) is bonded to four equivalent Cu(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted YbCu4As8 cuboctahedra that share corners with four equivalent Yb(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)Yb4As4 tetrahedra, edges with eight equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)Yb4As4 tetrahedra, and faces with four equivalent Yb(1)Cu4As8 cuboctahedra. Cu(1) is bonded to four equivalent Yb(1) and four equivalent As(2) atoms to form distorted CuYb4As4 tetrahedra that share corners with eight equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Yb(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)Yb4As4 tetrahedra, and faces with four equivalent Cu(1)Yb4As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Yb(1) and four equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Yb(1) and four equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_YbCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   3.924
_cell_length_c   9.813
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.117
_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
  Yb  Yb0  1  0.250  0.250  0.245  1.0
  Yb  Yb1  1  0.750  0.750  0.755  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  As  As4  1  0.750  0.250  0.000  1.0
  As  As5  1  0.250  0.750  0.000  1.0
  As  As6  1  0.750  0.750  0.354  1.0
  As  As7  1  0.250  0.250  0.646  1.0
[/CIF]
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