The material described by Zr(ZnN)4 crystallizes in the triclinic P-1 space group. Zr(1) is bonded to one N(1), one N(3), one N(4), and two equivalent N(2) atoms to form distorted ZrN5 trigonal bipyramids that share corners with three equivalent Zn(1)N4 trigonal pyramids, corners with four equivalent Zn(3)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Zn(1)N4 trigonal pyramid. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form ZnN4 trigonal pyramids that share corners with three equivalent Zr(1)N5 trigonal bipyramids, corners with two equivalent Zn(3)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Zn(3)N4 trigonal pyramid. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(2) atoms. In the third Zn site, Zn(3) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form distorted ZnN4 trigonal pyramids that share corners with four equivalent Zr(1)N5 trigonal bipyramids, corners with two equivalent Zn(1)N4 trigonal pyramids,  an edgeedge with one Zn(1)N4 trigonal pyramid, and edges with two equivalent Zn(3)N4 trigonal pyramids. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one N(1), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Zr(1), one Zn(1), one Zn(4), and two equivalent Zn(3) atoms. In the second N site, N(2) is bonded to two equivalent Zr(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted NZr2Zn3 trigonal bipyramids that share corners with five equivalent N(3)ZrZn3 tetrahedra, corners with three equivalent N(4)ZrZn4 trigonal bipyramids, and edges with two equivalent N(2)Zr2Zn3 trigonal bipyramids. In the third N site, N(3) is bonded to one Zr(1), one Zn(1), one Zn(2), and one Zn(4) atom to form NZrZn3 tetrahedra that share corners with three equivalent N(4)ZrZn4 trigonal bipyramids and corners with five equivalent N(2)Zr2Zn3 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Zr(1), one Zn(1), one Zn(4), and two equivalent Zn(3) atoms to form distorted NZrZn4 trigonal bipyramids that share corners with three equivalent N(3)ZrZn3 tetrahedra, corners with three equivalent N(2)Zr2Zn3 trigonal bipyramids, and  an edgeedge with one N(4)ZrZn4 trigonal bipyramid. is represented by the CIF card [CIF]
data_Zr(ZnN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.650
_cell_length_c   8.812
_cell_angle_alpha   65.958
_cell_angle_beta   87.280
_cell_angle_gamma   65.214
_symmetry_Int_Tables_number   1
_cell_volume   227.987
_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  0.767  0.740  0.809  1.0
  Zr  Zr1  1  0.233  0.260  0.191  1.0
  Zn  Zn2  1  0.668  0.629  0.213  1.0
  Zn  Zn3  1  0.332  0.371  0.787  1.0
  Zn  Zn4  1  0.800  0.115  0.068  1.0
  Zn  Zn5  1  0.200  0.885  0.932  1.0
  Zn  Zn6  1  0.768  0.467  0.554  1.0
  Zn  Zn7  1  0.232  0.533  0.446  1.0
  Zn  Zn8  1  0.268  0.925  0.556  1.0
  Zn  Zn9  1  0.732  0.075  0.444  1.0
  N  N10  1  0.961  0.670  0.603  1.0
  N  N11  1  0.039  0.330  0.397  1.0
  N  N12  1  0.897  0.759  0.033  1.0
  N  N13  1  0.103  0.241  0.967  1.0
  N  N14  1  0.416  0.690  0.799  1.0
  N  N15  1  0.584  0.310  0.201  1.0
  N  N16  1  0.402  0.803  0.349  1.0
  N  N17  1  0.598  0.197  0.651  1.0
[/CIF]
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The material described by Zr(ZnN)4 crystallizes in the triclinic P-1 space group. Zr(1) is bonded to one N(1), one N(3), one N(4), and two equivalent N(2) atoms to form distorted ZrN5 trigonal bipyramids that share corners with three equivalent Zn(1)N4 trigonal pyramids, corners with four equivalent Zn(3)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Zn(1)N4 trigonal pyramid. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form ZnN4 trigonal pyramids that share corners with three equivalent Zr(1)N5 trigonal bipyramids, corners with two equivalent Zn(3)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Zn(3)N4 trigonal pyramid. In the second Zn site, Zn(2) is bonded in a distorted trigonal planar geometry to one N(3) and two equivalent N(2) atoms. In the third Zn site, Zn(3) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form distorted ZnN4 trigonal pyramids that share corners with four equivalent Zr(1)N5 trigonal bipyramids, corners with two equivalent Zn(1)N4 trigonal pyramids,  an edgeedge with one Zn(1)N4 trigonal pyramid, and edges with two equivalent Zn(3)N4 trigonal pyramids. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one N(1), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Zr(1), one Zn(1), one Zn(4), and two equivalent Zn(3) atoms. In the second N site, N(2) is bonded to two equivalent Zr(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted NZr2Zn3 trigonal bipyramids that share corners with five equivalent N(3)ZrZn3 tetrahedra, corners with three equivalent N(4)ZrZn4 trigonal bipyramids, and edges with two equivalent N(2)Zr2Zn3 trigonal bipyramids. In the third N site, N(3) is bonded to one Zr(1), one Zn(1), one Zn(2), and one Zn(4) atom to form NZrZn3 tetrahedra that share corners with three equivalent N(4)ZrZn4 trigonal bipyramids and corners with five equivalent N(2)Zr2Zn3 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Zr(1), one Zn(1), one Zn(4), and two equivalent Zn(3) atoms to form distorted NZrZn4 trigonal bipyramids that share corners with three equivalent N(3)ZrZn3 tetrahedra, corners with three equivalent N(2)Zr2Zn3 trigonal bipyramids, and  an edgeedge with one N(4)ZrZn4 trigonal bipyramid. is represented by the CIF card [CIF]
data_Zr(ZnN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.650
_cell_length_c   8.812
_cell_angle_alpha   65.958
_cell_angle_beta   87.280
_cell_angle_gamma   65.214
_symmetry_Int_Tables_number   1
_cell_volume   227.987
_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  0.767  0.740  0.809  1.0
  Zr  Zr1  1  0.233  0.260  0.191  1.0
  Zn  Zn2  1  0.668  0.629  0.213  1.0
  Zn  Zn3  1  0.332  0.371  0.787  1.0
  Zn  Zn4  1  0.800  0.115  0.068  1.0
  Zn  Zn5  1  0.200  0.885  0.932  1.0
  Zn  Zn6  1  0.768  0.467  0.554  1.0
  Zn  Zn7  1  0.232  0.533  0.446  1.0
  Zn  Zn8  1  0.268  0.925  0.556  1.0
  Zn  Zn9  1  0.732  0.075  0.444  1.0
  N  N10  1  0.961  0.670  0.603  1.0
  N  N11  1  0.039  0.330  0.397  1.0
  N  N12  1  0.897  0.759  0.033  1.0
  N  N13  1  0.103  0.241  0.967  1.0
  N  N14  1  0.416  0.690  0.799  1.0
  N  N15  1  0.584  0.310  0.201  1.0
  N  N16  1  0.402  0.803  0.349  1.0
  N  N17  1  0.598  0.197  0.651  1.0
[/CIF]
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