The material structure described by CrNi2N3 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ni(1)N4 tetrahedra. Ni(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted NiN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ni(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ni(1) atoms to form corner-sharing NCrNi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrNi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.091
_cell_length_c   5.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.378
_symmetry_Int_Tables_number   1
_cell_volume   117.460
_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
  Cr  Cr0  1  0.000  0.665  0.455  1.0
  Cr  Cr1  1  0.000  0.335  0.955  1.0
  Ni  Ni2  1  0.295  0.332  0.525  1.0
  Ni  Ni3  1  0.705  0.037  0.525  1.0
  Ni  Ni4  1  0.705  0.668  0.025  1.0
  Ni  Ni5  1  0.295  0.963  0.025  1.0
  N  N6  1  0.343  0.329  0.882  1.0
  N  N7  1  0.657  0.987  0.882  1.0
  N  N8  1  0.657  0.671  0.382  1.0
  N  N9  1  0.343  0.013  0.382  1.0
  N  N10  1  0.000  0.661  0.804  1.0
  N  N11  1  0.000  0.339  0.304  1.0
[/CIF]
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The material structure described by CrNi2N3 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ni(1)N4 tetrahedra. Ni(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted NiN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ni(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ni(1) atoms to form corner-sharing NCrNi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrNi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.091
_cell_length_c   5.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.378
_symmetry_Int_Tables_number   1
_cell_volume   117.460
_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
  Cr  Cr0  1  0.000  0.665  0.455  1.0
  Cr  Cr1  1  0.000  0.335  0.955  1.0
  Ni  Ni2  1  0.295  0.332  0.525  1.0
  Ni  Ni3  1  0.705  0.037  0.525  1.0
  Ni  Ni4  1  0.705  0.668  0.025  1.0
  Ni  Ni5  1  0.295  0.963  0.025  1.0
  N  N6  1  0.343  0.329  0.882  1.0
  N  N7  1  0.657  0.987  0.882  1.0
  N  N8  1  0.657  0.671  0.382  1.0
  N  N9  1  0.343  0.013  0.382  1.0
  N  N10  1  0.000  0.661  0.804  1.0
  N  N11  1  0.000  0.339  0.304  1.0
[/CIF]
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