The crystal structure described by ZrCuSiAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent As(1) atoms. Cu(1) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCuSiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.680
_cell_length_b   3.680
_cell_length_c   9.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.929
_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
  Zr  Zr0  1  0.000  0.500  0.778  1.0
  Zr  Zr1  1  0.500  0.000  0.222  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.500  0.500  0.000  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.000  0.500  0.321  1.0
  As  As7  1  0.500  0.000  0.679  1.0
[/CIF]
.
The crystal structure described by ZrCuSiAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent As(1) atoms. Cu(1) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCuSiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.680
_cell_length_b   3.680
_cell_length_c   9.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.929
_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
  Zr  Zr0  1  0.000  0.500  0.778  1.0
  Zr  Zr1  1  0.500  0.000  0.222  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Si  Si4  1  0.500  0.500  0.000  1.0
  Si  Si5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.000  0.500  0.321  1.0
  As  As7  1  0.500  0.000  0.679  1.0
[/CIF]
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