The material described by CuZn4N3 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(1) and one N(11) atom. In the second Cu site, Cu(2) is bonded in a distorted bent 150 degrees geometry to one N(5) and one N(7) atom. In the third Cu site, Cu(3) is bonded in a distorted bent 150 degrees geometry to one N(12) and one N(8) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one N(1) and one N(7) atom. There are sixteen inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(11), one N(3), and one N(7) atom. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one N(12), one N(4), and one N(6) atom. In the third Zn site, Zn(3) is bonded in a distorted linear geometry to one N(11) and one N(8) atom. In the fourth Zn site, Zn(4) is bonded in a distorted bent 150 degrees geometry to one N(2) and one N(3) atom. In the fifth Zn site, Zn(5) is bonded in a linear geometry to one N(1) and one N(5) atom. In the sixth Zn site, Zn(6) is bonded in a trigonal planar geometry to one N(12), one N(2), and one N(4) atom. In the seventh Zn site, Zn(7) is bonded in a distorted bent 150 degrees geometry to one N(12) and one N(6) atom. In the eighth Zn site, Zn(8) is bonded in a distorted tetrahedral geometry to one N(1), one N(10), one N(4), and one N(8) atom. In the ninth Zn site, Zn(9) is bonded in a trigonal planar geometry to one N(2), one N(5), and one N(9) atom. In the tenth Zn site, Zn(10) is bonded in a trigonal planar geometry to one N(10), one N(6), and one N(8) atom. In the eleventh Zn site, Zn(11) is bonded in a distorted trigonal planar geometry to one N(3), one N(6), and one N(9) atom. In the twelfth Zn site, Zn(12) is bonded in a distorted trigonal planar geometry to one N(11), one N(5), and one N(7) atom. In the thirteenth Zn site, Zn(13) is bonded in a 3-coordinate geometry to one N(4), one N(6), and one N(9) atom. In the fourteenth Zn site, Zn(14) is bonded in a 3-coordinate geometry to one N(10), one N(11), and one N(7) atom. In the fifteenth Zn site, Zn(15) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(9) atom. In the sixteenth Zn site, Zn(16) is bonded in a distorted trigonal planar geometry to one N(1), one N(10), and one N(12) atom. There are twelve inequivalent N sites. In the first N site, N(1) is bonded to one Cu(1), one Cu(4), one Zn(16), one Zn(5), and one Zn(8) atom to form NZn3Cu2 trigonal bipyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra,  a cornercorner with one N(8)Zn3Cu tetrahedra, corners with two equivalent N(10)Zn4 tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, and  a cornercorner with one N(12)Zn4Cu trigonal bipyramid. In the second N site, N(2) is bonded to one Zn(15), one Zn(4), one Zn(6), and one Zn(9) atom to form NZn4 tetrahedra that share  a cornercorner with one N(5)Zn3Cu tetrahedra, corners with two equivalent N(3)Zn4 tetrahedra,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid, and corners with two equivalent N(9)Zn4 trigonal pyramids. In the third N site, N(3) is bonded to one Zn(1), one Zn(11), one Zn(15), and one Zn(4) atom to form NZn4 tetrahedra that share corners with two equivalent N(2)Zn4 tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(6)Zn5 trigonal bipyramid, and corners with two equivalent N(9)Zn4 trigonal pyramids. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Zn(13), one Zn(2), one Zn(6), and one Zn(8) atom. In the fifth N site, N(5) is bonded to one Cu(2), one Zn(12), one Zn(5), and one Zn(9) atom to form NZn3Cu tetrahedra that share  a cornercorner with one N(2)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, corners with two equivalent N(7)Zn3Cu2 trigonal bipyramids, and  a cornercorner with one N(9)Zn4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zn(10), one Zn(11), one Zn(13), one Zn(2), and one Zn(7) atom to form NZn5 trigonal bipyramids that share  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra, corners with two equivalent N(12)Zn4Cu trigonal bipyramids, and  an edgeedge with one N(9)Zn4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Cu(2), one Cu(4), one Zn(1), one Zn(12), and one Zn(14) atom to form distorted NZn3Cu2 trigonal bipyramids that share  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra, corners with two equivalent N(5)Zn3Cu tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, and  an edgeedge with one N(11)Zn4Cu trigonal bipyramid. In the eighth N site, N(8) is bonded to one Cu(3), one Zn(10), one Zn(3), and one Zn(8) atom to form distorted NZn3Cu tetrahedra that share corners with two equivalent N(10)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid, and  a cornercorner with one N(6)Zn5 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Zn(11), one Zn(13), one Zn(15), and one Zn(9) atom to form distorted NZn4 trigonal pyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra, corners with two equivalent N(2)Zn4 tetrahedra, corners with two equivalent N(3)Zn4 tetrahedra, and  an edgeedge with one N(6)Zn5 trigonal bipyramid. In the tenth N site, N(10) is bonded to one Zn(10), one Zn(14), one Zn(16), and one Zn(8) atom to form distorted NZn4 tetrahedra that share corners with two equivalent N(8)Zn3Cu tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid,  a cornercorner with one N(6)Zn5 trigonal bipyramid, and corners with two equivalent N(1)Zn3Cu2 trigonal bipyramids. In the eleventh N site, N(11) is bonded to one Cu(1), one Zn(1), one Zn(12), one Zn(14), and one Zn(3) atom to form NZn4Cu trigonal bipyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra,  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid, and  an edgeedge with one N(7)Zn3Cu2 trigonal bipyramid. In the twelfth N site, N(12) is bonded to one Cu(3), one Zn(16), one Zn(2), one Zn(6), and one Zn(7) atom to form distorted NZn4Cu trigonal bipyramids that share  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(2)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid, and corners with two equivalent N(6)Zn5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zn4CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   6.942
_cell_length_c   12.058
_cell_angle_alpha   88.874
_cell_angle_beta   91.162
_cell_angle_gamma   117.588
_symmetry_Int_Tables_number   1
_cell_volume   475.955
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.691  0.193  0.888  1.0
  Zn  Zn1  1  0.598  0.839  0.456  1.0
  Zn  Zn2  1  0.333  0.235  0.148  1.0
  Zn  Zn3  1  0.785  0.568  0.731  1.0
  Zn  Zn4  1  0.205  0.659  0.020  1.0
  Zn  Zn5  1  0.057  0.750  0.522  1.0
  Zn  Zn6  1  0.725  0.356  0.449  1.0
  Zn  Zn7  1  0.279  0.685  0.265  1.0
  Zn  Zn8  1  0.229  0.599  0.747  1.0
  Zn  Zn9  1  0.897  0.141  0.309  1.0
  Zn  Zn10  1  0.829  0.195  0.651  1.0
  Zn  Zn11  1  0.242  0.271  0.933  1.0
  Zn  Zn12  1  0.186  0.405  0.511  1.0
  Zn  Zn13  1  0.669  0.038  0.093  1.0
  Zn  Zn14  1  0.267  0.106  0.704  1.0
  Zn  Zn15  1  0.821  0.728  0.254  1.0
  Cu  Cu16  1  0.774  0.465  0.084  1.0
  Cu  Cu17  1  0.637  0.796  0.913  1.0
  Cu  Cu18  1  0.454  0.444  0.349  1.0
  Cu  Cu19  1  0.987  0.895  0.049  1.0
  N  N20  1  0.048  0.703  0.145  1.0
  N  N21  1  0.085  0.788  0.685  1.0
  N  N22  1  0.614  0.256  0.742  1.0
  N  N23  1  0.261  0.681  0.433  1.0
  N  N24  1  0.330  0.577  0.901  1.0
  N  N25  1  0.823  0.145  0.479  1.0
  N  N26  1  0.898  0.065  0.953  1.0
  N  N27  1  0.200  0.337  0.252  1.0
  N  N28  1  0.175  0.331  0.668  1.0
  N  N29  1  0.635  0.893  0.233  1.0
  N  N30  1  0.513  0.220  0.025  1.0
  N  N31  1  0.751  0.637  0.421  1.0
[/CIF]
.
The material described by CuZn4N3 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(1) and one N(11) atom. In the second Cu site, Cu(2) is bonded in a distorted bent 150 degrees geometry to one N(5) and one N(7) atom. In the third Cu site, Cu(3) is bonded in a distorted bent 150 degrees geometry to one N(12) and one N(8) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one N(1) and one N(7) atom. There are sixteen inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(11), one N(3), and one N(7) atom. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one N(12), one N(4), and one N(6) atom. In the third Zn site, Zn(3) is bonded in a distorted linear geometry to one N(11) and one N(8) atom. In the fourth Zn site, Zn(4) is bonded in a distorted bent 150 degrees geometry to one N(2) and one N(3) atom. In the fifth Zn site, Zn(5) is bonded in a linear geometry to one N(1) and one N(5) atom. In the sixth Zn site, Zn(6) is bonded in a trigonal planar geometry to one N(12), one N(2), and one N(4) atom. In the seventh Zn site, Zn(7) is bonded in a distorted bent 150 degrees geometry to one N(12) and one N(6) atom. In the eighth Zn site, Zn(8) is bonded in a distorted tetrahedral geometry to one N(1), one N(10), one N(4), and one N(8) atom. In the ninth Zn site, Zn(9) is bonded in a trigonal planar geometry to one N(2), one N(5), and one N(9) atom. In the tenth Zn site, Zn(10) is bonded in a trigonal planar geometry to one N(10), one N(6), and one N(8) atom. In the eleventh Zn site, Zn(11) is bonded in a distorted trigonal planar geometry to one N(3), one N(6), and one N(9) atom. In the twelfth Zn site, Zn(12) is bonded in a distorted trigonal planar geometry to one N(11), one N(5), and one N(7) atom. In the thirteenth Zn site, Zn(13) is bonded in a 3-coordinate geometry to one N(4), one N(6), and one N(9) atom. In the fourteenth Zn site, Zn(14) is bonded in a 3-coordinate geometry to one N(10), one N(11), and one N(7) atom. In the fifteenth Zn site, Zn(15) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(9) atom. In the sixteenth Zn site, Zn(16) is bonded in a distorted trigonal planar geometry to one N(1), one N(10), and one N(12) atom. There are twelve inequivalent N sites. In the first N site, N(1) is bonded to one Cu(1), one Cu(4), one Zn(16), one Zn(5), and one Zn(8) atom to form NZn3Cu2 trigonal bipyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra,  a cornercorner with one N(8)Zn3Cu tetrahedra, corners with two equivalent N(10)Zn4 tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, and  a cornercorner with one N(12)Zn4Cu trigonal bipyramid. In the second N site, N(2) is bonded to one Zn(15), one Zn(4), one Zn(6), and one Zn(9) atom to form NZn4 tetrahedra that share  a cornercorner with one N(5)Zn3Cu tetrahedra, corners with two equivalent N(3)Zn4 tetrahedra,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid, and corners with two equivalent N(9)Zn4 trigonal pyramids. In the third N site, N(3) is bonded to one Zn(1), one Zn(11), one Zn(15), and one Zn(4) atom to form NZn4 tetrahedra that share corners with two equivalent N(2)Zn4 tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(6)Zn5 trigonal bipyramid, and corners with two equivalent N(9)Zn4 trigonal pyramids. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Zn(13), one Zn(2), one Zn(6), and one Zn(8) atom. In the fifth N site, N(5) is bonded to one Cu(2), one Zn(12), one Zn(5), and one Zn(9) atom to form NZn3Cu tetrahedra that share  a cornercorner with one N(2)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, corners with two equivalent N(7)Zn3Cu2 trigonal bipyramids, and  a cornercorner with one N(9)Zn4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zn(10), one Zn(11), one Zn(13), one Zn(2), and one Zn(7) atom to form NZn5 trigonal bipyramids that share  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra, corners with two equivalent N(12)Zn4Cu trigonal bipyramids, and  an edgeedge with one N(9)Zn4 trigonal pyramid. In the seventh N site, N(7) is bonded to one Cu(2), one Cu(4), one Zn(1), one Zn(12), and one Zn(14) atom to form distorted NZn3Cu2 trigonal bipyramids that share  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra, corners with two equivalent N(5)Zn3Cu tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid, and  an edgeedge with one N(11)Zn4Cu trigonal bipyramid. In the eighth N site, N(8) is bonded to one Cu(3), one Zn(10), one Zn(3), and one Zn(8) atom to form distorted NZn3Cu tetrahedra that share corners with two equivalent N(10)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid, and  a cornercorner with one N(6)Zn5 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Zn(11), one Zn(13), one Zn(15), and one Zn(9) atom to form distorted NZn4 trigonal pyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra, corners with two equivalent N(2)Zn4 tetrahedra, corners with two equivalent N(3)Zn4 tetrahedra, and  an edgeedge with one N(6)Zn5 trigonal bipyramid. In the tenth N site, N(10) is bonded to one Zn(10), one Zn(14), one Zn(16), and one Zn(8) atom to form distorted NZn4 tetrahedra that share corners with two equivalent N(8)Zn3Cu tetrahedra,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(11)Zn4Cu trigonal bipyramid,  a cornercorner with one N(12)Zn4Cu trigonal bipyramid,  a cornercorner with one N(6)Zn5 trigonal bipyramid, and corners with two equivalent N(1)Zn3Cu2 trigonal bipyramids. In the eleventh N site, N(11) is bonded to one Cu(1), one Zn(1), one Zn(12), one Zn(14), and one Zn(3) atom to form NZn4Cu trigonal bipyramids that share  a cornercorner with one N(5)Zn3Cu tetrahedra,  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(3)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid,  a cornercorner with one N(7)Zn3Cu2 trigonal bipyramid, and  an edgeedge with one N(7)Zn3Cu2 trigonal bipyramid. In the twelfth N site, N(12) is bonded to one Cu(3), one Zn(16), one Zn(2), one Zn(6), and one Zn(7) atom to form distorted NZn4Cu trigonal bipyramids that share  a cornercorner with one N(8)Zn3Cu tetrahedra,  a cornercorner with one N(10)Zn4 tetrahedra,  a cornercorner with one N(2)Zn4 tetrahedra,  a cornercorner with one N(1)Zn3Cu2 trigonal bipyramid, and corners with two equivalent N(6)Zn5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zn4CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   6.942
_cell_length_c   12.058
_cell_angle_alpha   88.874
_cell_angle_beta   91.162
_cell_angle_gamma   117.588
_symmetry_Int_Tables_number   1
_cell_volume   475.955
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.691  0.193  0.888  1.0
  Zn  Zn1  1  0.598  0.839  0.456  1.0
  Zn  Zn2  1  0.333  0.235  0.148  1.0
  Zn  Zn3  1  0.785  0.568  0.731  1.0
  Zn  Zn4  1  0.205  0.659  0.020  1.0
  Zn  Zn5  1  0.057  0.750  0.522  1.0
  Zn  Zn6  1  0.725  0.356  0.449  1.0
  Zn  Zn7  1  0.279  0.685  0.265  1.0
  Zn  Zn8  1  0.229  0.599  0.747  1.0
  Zn  Zn9  1  0.897  0.141  0.309  1.0
  Zn  Zn10  1  0.829  0.195  0.651  1.0
  Zn  Zn11  1  0.242  0.271  0.933  1.0
  Zn  Zn12  1  0.186  0.405  0.511  1.0
  Zn  Zn13  1  0.669  0.038  0.093  1.0
  Zn  Zn14  1  0.267  0.106  0.704  1.0
  Zn  Zn15  1  0.821  0.728  0.254  1.0
  Cu  Cu16  1  0.774  0.465  0.084  1.0
  Cu  Cu17  1  0.637  0.796  0.913  1.0
  Cu  Cu18  1  0.454  0.444  0.349  1.0
  Cu  Cu19  1  0.987  0.895  0.049  1.0
  N  N20  1  0.048  0.703  0.145  1.0
  N  N21  1  0.085  0.788  0.685  1.0
  N  N22  1  0.614  0.256  0.742  1.0
  N  N23  1  0.261  0.681  0.433  1.0
  N  N24  1  0.330  0.577  0.901  1.0
  N  N25  1  0.823  0.145  0.479  1.0
  N  N26  1  0.898  0.065  0.953  1.0
  N  N27  1  0.200  0.337  0.252  1.0
  N  N28  1  0.175  0.331  0.668  1.0
  N  N29  1  0.635  0.893  0.233  1.0
  N  N30  1  0.513  0.220  0.025  1.0
  N  N31  1  0.751  0.637  0.421  1.0
[/CIF]
.