The crystal structure described by CrN2 is Keatite-like structured and crystallizes in the orthorhombic Ima2 space group. Cr(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   137.208
_cell_angle_beta   106.482
_cell_angle_gamma   88.996
_symmetry_Int_Tables_number   1
_cell_volume   280.742
_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  0.756  0.900  0.854  1.0
  Cr  Cr1  1  0.244  0.098  0.145  1.0
  Cr  Cr2  1  0.453  0.598  0.854  1.0
  Cr  Cr3  1  0.547  0.400  0.145  1.0
  N  N4  1  0.659  0.692  0.501  1.0
  N  N5  1  0.341  0.841  0.032  1.0
  N  N6  1  0.309  0.341  0.501  1.0
  N  N7  1  0.691  0.192  0.032  1.0
  N  N8  1  0.659  0.739  0.898  1.0
  N  N9  1  0.341  0.239  0.080  1.0
  N  N10  1  0.000  0.974  0.974  1.0
  N  N11  1  0.500  0.474  0.974  1.0
[/CIF]
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The crystal structure described by CrN2 is Keatite-like structured and crystallizes in the orthorhombic Ima2 space group. Cr(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   137.208
_cell_angle_beta   106.482
_cell_angle_gamma   88.996
_symmetry_Int_Tables_number   1
_cell_volume   280.742
_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  0.756  0.900  0.854  1.0
  Cr  Cr1  1  0.244  0.098  0.145  1.0
  Cr  Cr2  1  0.453  0.598  0.854  1.0
  Cr  Cr3  1  0.547  0.400  0.145  1.0
  N  N4  1  0.659  0.692  0.501  1.0
  N  N5  1  0.341  0.841  0.032  1.0
  N  N6  1  0.309  0.341  0.501  1.0
  N  N7  1  0.691  0.192  0.032  1.0
  N  N8  1  0.659  0.739  0.898  1.0
  N  N9  1  0.341  0.239  0.080  1.0
  N  N10  1  0.000  0.974  0.974  1.0
  N  N11  1  0.500  0.474  0.974  1.0
[/CIF]
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