The compound described by PdCu11N4 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the third Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the fourth Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the fifth Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the sixth Cu site, Cu(3) is bonded in a linear geometry to two equivalent N(3) atoms. In the seventh Cu site, Cu(4) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(4) atoms to form NCu4Pd2 octahedra that share corners with two equivalent N(1)Cu4Pd2 octahedra and corners with four equivalent N(3)Cu6 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Cu(1) and four Cu(2,2,2,2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded to two Cu(2,2); two equivalent Cu(3); and two equivalent Cu(4) atoms to form NCu6 octahedra that share corners with two equivalent N(1)Cu4Pd2 octahedra, corners with two equivalent N(2)Cu6 octahedra, and corners with two equivalent N(3)Cu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu11PdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.610
_cell_length_b   7.610
_cell_length_c   3.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.026
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.250  0.500  0.000  1.0
  Cu  Cu2  1  0.750  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.750  0.000  1.0
  Cu  Cu4  1  0.500  0.250  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.251  0.000  0.000  1.0
  Cu  Cu8  1  0.749  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.749  0.000  1.0
  Cu  Cu10  1  0.000  0.251  0.000  1.0
  Pd  Pd11  1  0.000  0.000  0.500  1.0
  N  N12  1  0.000  0.000  0.000  1.0
  N  N13  1  0.500  0.500  0.000  1.0
  N  N14  1  0.000  0.500  0.000  1.0
  N  N15  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by PdCu11N4 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the third Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the fourth Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the fifth Cu site, Cu(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the sixth Cu site, Cu(3) is bonded in a linear geometry to two equivalent N(3) atoms. In the seventh Cu site, Cu(4) is bonded in a linear geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Pd(1) and four equivalent Cu(4) atoms to form NCu4Pd2 octahedra that share corners with two equivalent N(1)Cu4Pd2 octahedra and corners with four equivalent N(3)Cu6 octahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to two equivalent Cu(1) and four Cu(2,2,2,2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded to two Cu(2,2); two equivalent Cu(3); and two equivalent Cu(4) atoms to form NCu6 octahedra that share corners with two equivalent N(1)Cu4Pd2 octahedra, corners with two equivalent N(2)Cu6 octahedra, and corners with two equivalent N(3)Cu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu11PdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.610
_cell_length_b   7.610
_cell_length_c   3.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.026
_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
  Cu  Cu0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.250  0.500  0.000  1.0
  Cu  Cu2  1  0.750  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.750  0.000  1.0
  Cu  Cu4  1  0.500  0.250  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.251  0.000  0.000  1.0
  Cu  Cu8  1  0.749  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.749  0.000  1.0
  Cu  Cu10  1  0.000  0.251  0.000  1.0
  Pd  Pd11  1  0.000  0.000  0.500  1.0
  N  N12  1  0.000  0.000  0.000  1.0
  N  N13  1  0.500  0.500  0.000  1.0
  N  N14  1  0.000  0.500  0.000  1.0
  N  N15  1  0.500  0.000  0.000  1.0
[/CIF]
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