The structure described by NiZn5N4 crystallizes in the orthorhombic Pmmn space group. Ni(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ni(1), one Zn(2), and two equivalent Zn(1) atoms to form NZn3Ni tetrahedra that share corners with six equivalent N(2)Zn5 square pyramids and corners with two equivalent N(1)Zn3Ni tetrahedra. In the second N site, N(2) is bonded to one Zn(2) and four equivalent Zn(1) atoms to form distorted NZn5 square pyramids that share  a cornercorner with one N(2)Zn5 square pyramid, corners with six equivalent N(1)Zn3Ni tetrahedra, and edges with two equivalent N(2)Zn5 square pyramids. is represented by the CIF card [CIF]
data_Zn5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   5.924
_cell_length_c   5.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.800
_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
  Zn  Zn0  1  0.574  0.511  0.289  1.0
  Zn  Zn1  1  0.926  0.511  0.289  1.0
  Zn  Zn2  1  0.574  0.989  0.289  1.0
  Zn  Zn3  1  0.926  0.989  0.289  1.0
  Zn  Zn4  1  0.426  0.489  0.711  1.0
  Zn  Zn5  1  0.074  0.489  0.711  1.0
  Zn  Zn6  1  0.426  0.011  0.711  1.0
  Zn  Zn7  1  0.074  0.011  0.711  1.0
  Zn  Zn8  1  0.750  0.750  0.777  1.0
  Zn  Zn9  1  0.250  0.250  0.223  1.0
  Ni  Ni10  1  0.750  0.250  0.879  1.0
  Ni  Ni11  1  0.250  0.750  0.121  1.0
  N  N12  1  0.750  0.999  0.054  1.0
  N  N13  1  0.750  0.501  0.054  1.0
  N  N14  1  0.250  0.001  0.946  1.0
  N  N15  1  0.250  0.499  0.946  1.0
  N  N16  1  0.549  0.750  0.567  1.0
  N  N17  1  0.951  0.750  0.567  1.0
  N  N18  1  0.451  0.250  0.433  1.0
  N  N19  1  0.049  0.250  0.433  1.0
[/CIF]
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The structure described by NiZn5N4 crystallizes in the orthorhombic Pmmn space group. Ni(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ni(1), one Zn(2), and two equivalent Zn(1) atoms to form NZn3Ni tetrahedra that share corners with six equivalent N(2)Zn5 square pyramids and corners with two equivalent N(1)Zn3Ni tetrahedra. In the second N site, N(2) is bonded to one Zn(2) and four equivalent Zn(1) atoms to form distorted NZn5 square pyramids that share  a cornercorner with one N(2)Zn5 square pyramid, corners with six equivalent N(1)Zn3Ni tetrahedra, and edges with two equivalent N(2)Zn5 square pyramids. is represented by the CIF card [CIF]
data_Zn5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   5.924
_cell_length_c   5.359
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.800
_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
  Zn  Zn0  1  0.574  0.511  0.289  1.0
  Zn  Zn1  1  0.926  0.511  0.289  1.0
  Zn  Zn2  1  0.574  0.989  0.289  1.0
  Zn  Zn3  1  0.926  0.989  0.289  1.0
  Zn  Zn4  1  0.426  0.489  0.711  1.0
  Zn  Zn5  1  0.074  0.489  0.711  1.0
  Zn  Zn6  1  0.426  0.011  0.711  1.0
  Zn  Zn7  1  0.074  0.011  0.711  1.0
  Zn  Zn8  1  0.750  0.750  0.777  1.0
  Zn  Zn9  1  0.250  0.250  0.223  1.0
  Ni  Ni10  1  0.750  0.250  0.879  1.0
  Ni  Ni11  1  0.250  0.750  0.121  1.0
  N  N12  1  0.750  0.999  0.054  1.0
  N  N13  1  0.750  0.501  0.054  1.0
  N  N14  1  0.250  0.001  0.946  1.0
  N  N15  1  0.250  0.499  0.946  1.0
  N  N16  1  0.549  0.750  0.567  1.0
  N  N17  1  0.951  0.750  0.567  1.0
  N  N18  1  0.451  0.250  0.433  1.0
  N  N19  1  0.049  0.250  0.433  1.0
[/CIF]
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