The material structure described by PdCu11N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a distorted linear geometry to four equivalent Cu(4) and two equivalent N(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(4) and two equivalent N(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(4), one N(2), and one N(3) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to four equivalent Cu(4) and two equivalent N(3) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one Pd(1), one Cu(1), two equivalent Cu(3), and four equivalent Cu(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Pd(1) atoms. In the second N site, N(2) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded in a square co-planar geometry to two equivalent Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Cu11PdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   3.746
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.312
_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  0.243  0.500  0.000  1.0
  Cu  Cu2  1  0.757  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.757  0.000  1.0
  Cu  Cu4  1  0.500  0.243  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  0.249  0.249  0.500  1.0
  Cu  Cu8  1  0.751  0.751  0.500  1.0
  Cu  Cu9  1  0.249  0.751  0.500  1.0
  Cu  Cu10  1  0.751  0.249  0.500  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 material structure described by PdCu11N4 crystallizes in the tetragonal P4/mmm space group. Pd(1) is bonded in a distorted linear geometry to four equivalent Cu(4) and two equivalent N(1) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to four equivalent Cu(4) and two equivalent N(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to four equivalent Cu(4), one N(2), and one N(3) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to four equivalent Cu(4) and two equivalent N(3) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one Pd(1), one Cu(1), two equivalent Cu(3), and four equivalent Cu(2) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Pd(1) atoms. In the second N site, N(2) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedra are not tilted. In the third N site, N(3) is bonded in a square co-planar geometry to two equivalent Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Cu11PdN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   3.746
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.312
_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  0.243  0.500  0.000  1.0
  Cu  Cu2  1  0.757  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.757  0.000  1.0
  Cu  Cu4  1  0.500  0.243  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  0.249  0.249  0.500  1.0
  Cu  Cu8  1  0.751  0.751  0.500  1.0
  Cu  Cu9  1  0.249  0.751  0.500  1.0
  Cu  Cu10  1  0.751  0.249  0.500  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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