The material described by Zr(NiN)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 Ni(1)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Ni(1)N4 trigonal pyramid. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted NiN4 trigonal pyramids that share corners with three equivalent Zr(1)N5 trigonal bipyramids and  an edgeedge with one Zr(1)N5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. In the fourth Ni site, Ni(4) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form NZrNi4 trigonal bipyramids that share corners with three equivalent N(3)ZrNi4 square pyramids,  a cornercorner with one N(2)Zr2Ni3 trigonal bipyramid,  an edgeedge with one N(3)ZrNi4 square pyramid,  an edgeedge with one N(2)Zr2Ni3 trigonal bipyramid, and  an edgeedge with one N(1)ZrNi4 trigonal bipyramid. In the second N site, N(2) is bonded to two equivalent Zr(1), one Ni(1), and two equivalent Ni(2) atoms to form distorted NZr2Ni3 trigonal bipyramids that share corners with three equivalent N(3)ZrNi4 square pyramids,  a cornercorner with one N(1)ZrNi4 trigonal bipyramid,  an edgeedge with one N(3)ZrNi4 square pyramid,  an edgeedge with one N(1)ZrNi4 trigonal bipyramid, and edges with two equivalent N(2)Zr2Ni3 trigonal bipyramids. In the third N site, N(3) is bonded to one Zr(1), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form NZrNi4 square pyramids that share corners with three equivalent N(2)Zr2Ni3 trigonal bipyramids, corners with three equivalent N(1)ZrNi4 trigonal bipyramids,  an edgeedge with one N(2)Zr2Ni3 trigonal bipyramid, and  an edgeedge with one N(1)ZrNi4 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Zr(1), one Ni(1), one Ni(3), and one Ni(4) atom. is represented by the CIF file [CIF]
data_Zr(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   5.743
_cell_length_c   8.027
_cell_angle_alpha   62.991
_cell_angle_beta   77.963
_cell_angle_gamma   60.012
_symmetry_Int_Tables_number   1
_cell_volume   194.265
_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  0.762  0.740  0.806  1.0
  Zr  Zr1  1  0.238  0.260  0.194  1.0
  Ni  Ni2  1  0.657  0.664  0.216  1.0
  Ni  Ni3  1  0.343  0.336  0.784  1.0
  Ni  Ni4  1  0.798  0.173  0.915  1.0
  Ni  Ni5  1  0.202  0.827  0.085  1.0
  Ni  Ni6  1  0.727  0.482  0.553  1.0
  Ni  Ni7  1  0.273  0.518  0.447  1.0
  Ni  Ni8  1  0.217  0.950  0.617  1.0
  Ni  Ni9  1  0.783  0.050  0.383  1.0
  N  N10  1  0.051  0.737  0.589  1.0
  N  N11  1  0.949  0.263  0.411  1.0
  N  N12  1  0.908  0.773  0.029  1.0
  N  N13  1  0.092  0.227  0.971  1.0
  N  N14  1  0.537  0.547  0.765  1.0
  N  N15  1  0.463  0.453  0.235  1.0
  N  N16  1  0.608  0.860  0.363  1.0
  N  N17  1  0.392  0.140  0.637  1.0
[/CIF]
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The material described by Zr(NiN)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 Ni(1)N4 trigonal pyramids,  an edgeedge with one Zr(1)N5 trigonal bipyramid, and  an edgeedge with one Ni(1)N4 trigonal pyramid. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted NiN4 trigonal pyramids that share corners with three equivalent Zr(1)N5 trigonal bipyramids and  an edgeedge with one Zr(1)N5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one N(3) and two equivalent N(2) atoms. In the third Ni site, Ni(3) is bonded in a distorted T-shaped geometry to one N(1), one N(3), and one N(4) atom. In the fourth Ni site, Ni(4) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Ni(1), one Ni(3), and two equivalent Ni(4) atoms to form NZrNi4 trigonal bipyramids that share corners with three equivalent N(3)ZrNi4 square pyramids,  a cornercorner with one N(2)Zr2Ni3 trigonal bipyramid,  an edgeedge with one N(3)ZrNi4 square pyramid,  an edgeedge with one N(2)Zr2Ni3 trigonal bipyramid, and  an edgeedge with one N(1)ZrNi4 trigonal bipyramid. In the second N site, N(2) is bonded to two equivalent Zr(1), one Ni(1), and two equivalent Ni(2) atoms to form distorted NZr2Ni3 trigonal bipyramids that share corners with three equivalent N(3)ZrNi4 square pyramids,  a cornercorner with one N(1)ZrNi4 trigonal bipyramid,  an edgeedge with one N(3)ZrNi4 square pyramid,  an edgeedge with one N(1)ZrNi4 trigonal bipyramid, and edges with two equivalent N(2)Zr2Ni3 trigonal bipyramids. In the third N site, N(3) is bonded to one Zr(1), one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form NZrNi4 square pyramids that share corners with three equivalent N(2)Zr2Ni3 trigonal bipyramids, corners with three equivalent N(1)ZrNi4 trigonal bipyramids,  an edgeedge with one N(2)Zr2Ni3 trigonal bipyramid, and  an edgeedge with one N(1)ZrNi4 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Zr(1), one Ni(1), one Ni(3), and one Ni(4) atom. is represented by the CIF file [CIF]
data_Zr(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.462
_cell_length_b   5.743
_cell_length_c   8.027
_cell_angle_alpha   62.991
_cell_angle_beta   77.963
_cell_angle_gamma   60.012
_symmetry_Int_Tables_number   1
_cell_volume   194.265
_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  0.762  0.740  0.806  1.0
  Zr  Zr1  1  0.238  0.260  0.194  1.0
  Ni  Ni2  1  0.657  0.664  0.216  1.0
  Ni  Ni3  1  0.343  0.336  0.784  1.0
  Ni  Ni4  1  0.798  0.173  0.915  1.0
  Ni  Ni5  1  0.202  0.827  0.085  1.0
  Ni  Ni6  1  0.727  0.482  0.553  1.0
  Ni  Ni7  1  0.273  0.518  0.447  1.0
  Ni  Ni8  1  0.217  0.950  0.617  1.0
  Ni  Ni9  1  0.783  0.050  0.383  1.0
  N  N10  1  0.051  0.737  0.589  1.0
  N  N11  1  0.949  0.263  0.411  1.0
  N  N12  1  0.908  0.773  0.029  1.0
  N  N13  1  0.092  0.227  0.971  1.0
  N  N14  1  0.537  0.547  0.765  1.0
  N  N15  1  0.463  0.453  0.235  1.0
  N  N16  1  0.608  0.860  0.363  1.0
  N  N17  1  0.392  0.140  0.637  1.0
[/CIF]
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