The compound described by CrN2 is Keatite-like structured and crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one N(1), one N(3), and two equivalent N(2) 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 CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.442
_cell_length_b   7.442
_cell_length_c   5.545
_cell_angle_alpha   71.715
_cell_angle_beta   71.715
_cell_angle_gamma   73.981
_symmetry_Int_Tables_number   1
_cell_volume   271.419
_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  0.045  0.256  0.645  1.0
  Cr  Cr1  1  0.744  0.955  0.855  1.0
  Cr  Cr2  1  0.955  0.744  0.355  1.0
  Cr  Cr3  1  0.256  0.045  0.145  1.0
  N  N4  1  0.163  0.837  0.250  1.0
  N  N5  1  0.837  0.163  0.750  1.0
  N  N6  1  0.860  0.796  0.087  1.0
  N  N7  1  0.204  0.140  0.413  1.0
  N  N8  1  0.140  0.204  0.913  1.0
  N  N9  1  0.796  0.860  0.587  1.0
  N  N10  1  0.500  0.000  0.000  1.0
  N  N11  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by CrN2 is Keatite-like structured and crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one N(1), one N(3), and two equivalent N(2) 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 CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.442
_cell_length_b   7.442
_cell_length_c   5.545
_cell_angle_alpha   71.715
_cell_angle_beta   71.715
_cell_angle_gamma   73.981
_symmetry_Int_Tables_number   1
_cell_volume   271.419
_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  0.045  0.256  0.645  1.0
  Cr  Cr1  1  0.744  0.955  0.855  1.0
  Cr  Cr2  1  0.955  0.744  0.355  1.0
  Cr  Cr3  1  0.256  0.045  0.145  1.0
  N  N4  1  0.163  0.837  0.250  1.0
  N  N5  1  0.837  0.163  0.750  1.0
  N  N6  1  0.860  0.796  0.087  1.0
  N  N7  1  0.204  0.140  0.413  1.0
  N  N8  1  0.140  0.204  0.913  1.0
  N  N9  1  0.796  0.860  0.587  1.0
  N  N10  1  0.500  0.000  0.000  1.0
  N  N11  1  0.000  0.500  0.500  1.0
[/CIF]
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