The material structure described by Cr2NiN2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Cr site, Cr(2) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted edge-sharing CrN5 trigonal bipyramids. Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Cr(1), three equivalent Cr(2), and one Ni(1) atom to form edge-sharing NCr5Ni octahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Cr2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   2.703
_cell_length_c   12.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.386
_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
  Cr  Cr0  1  0.610  0.250  0.924  1.0
  Cr  Cr1  1  0.110  0.250  0.576  1.0
  Cr  Cr2  1  0.390  0.750  0.076  1.0
  Cr  Cr3  1  0.890  0.750  0.424  1.0
  Cr  Cr4  1  0.160  0.250  0.931  1.0
  Cr  Cr5  1  0.660  0.250  0.569  1.0
  Cr  Cr6  1  0.840  0.750  0.069  1.0
  Cr  Cr7  1  0.340  0.750  0.431  1.0
  Ni  Ni8  1  0.614  0.250  0.268  1.0
  Ni  Ni9  1  0.114  0.250  0.232  1.0
  Ni  Ni10  1  0.386  0.750  0.732  1.0
  Ni  Ni11  1  0.886  0.750  0.768  1.0
  N  N12  1  0.622  0.250  0.417  1.0
  N  N13  1  0.122  0.250  0.083  1.0
  N  N14  1  0.378  0.750  0.583  1.0
  N  N15  1  0.878  0.750  0.917  1.0
  N  N16  1  0.627  0.250  0.126  1.0
  N  N17  1  0.127  0.250  0.374  1.0
  N  N18  1  0.373  0.750  0.874  1.0
  N  N19  1  0.873  0.750  0.626  1.0
[/CIF]
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The material structure described by Cr2NiN2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Cr site, Cr(2) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted edge-sharing CrN5 trigonal bipyramids. Ni(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Cr(1), three equivalent Cr(2), and one Ni(1) atom to form edge-sharing NCr5Ni octahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Cr2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   2.703
_cell_length_c   12.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.386
_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
  Cr  Cr0  1  0.610  0.250  0.924  1.0
  Cr  Cr1  1  0.110  0.250  0.576  1.0
  Cr  Cr2  1  0.390  0.750  0.076  1.0
  Cr  Cr3  1  0.890  0.750  0.424  1.0
  Cr  Cr4  1  0.160  0.250  0.931  1.0
  Cr  Cr5  1  0.660  0.250  0.569  1.0
  Cr  Cr6  1  0.840  0.750  0.069  1.0
  Cr  Cr7  1  0.340  0.750  0.431  1.0
  Ni  Ni8  1  0.614  0.250  0.268  1.0
  Ni  Ni9  1  0.114  0.250  0.232  1.0
  Ni  Ni10  1  0.386  0.750  0.732  1.0
  Ni  Ni11  1  0.886  0.750  0.768  1.0
  N  N12  1  0.622  0.250  0.417  1.0
  N  N13  1  0.122  0.250  0.083  1.0
  N  N14  1  0.378  0.750  0.583  1.0
  N  N15  1  0.878  0.750  0.917  1.0
  N  N16  1  0.627  0.250  0.126  1.0
  N  N17  1  0.127  0.250  0.374  1.0
  N  N18  1  0.373  0.750  0.874  1.0
  N  N19  1  0.873  0.750  0.626  1.0
[/CIF]
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