The compound described by CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   9.332
_cell_length_c   10.842
_cell_angle_alpha   55.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.764
_cell_formula_units_Z   8
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  0.771  0.371  0.326  1.0
  Cr  Cr1  1  0.271  0.629  0.174  1.0
  Cr  Cr2  1  0.229  0.629  0.674  1.0
  Cr  Cr3  1  0.729  0.371  0.826  1.0
  Cr  Cr4  1  0.595  0.120  0.203  1.0
  Cr  Cr5  1  0.095  0.880  0.297  1.0
  Cr  Cr6  1  0.405  0.880  0.797  1.0
  Cr  Cr7  1  0.905  0.120  0.703  1.0
  N  N8  1  0.668  0.221  0.293  1.0
  N  N9  1  0.168  0.779  0.207  1.0
  N  N10  1  0.332  0.779  0.707  1.0
  N  N11  1  0.832  0.221  0.793  1.0
  N  N12  1  0.848  0.261  0.515  1.0
  N  N13  1  0.348  0.739  0.985  1.0
  N  N14  1  0.152  0.739  0.485  1.0
  N  N15  1  0.652  0.261  0.015  1.0
  N  N16  1  0.533  0.518  0.280  1.0
  N  N17  1  0.033  0.482  0.220  1.0
  N  N18  1  0.467  0.482  0.720  1.0
  N  N19  1  0.967  0.518  0.780  1.0
  N  N20  1  0.781  0.941  0.271  1.0
  N  N21  1  0.281  0.059  0.229  1.0
  N  N22  1  0.219  0.059  0.729  1.0
  N  N23  1  0.719  0.941  0.771  1.0
[/CIF]
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The compound described by CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   9.332
_cell_length_c   10.842
_cell_angle_alpha   55.504
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.764
_cell_formula_units_Z   8
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  0.771  0.371  0.326  1.0
  Cr  Cr1  1  0.271  0.629  0.174  1.0
  Cr  Cr2  1  0.229  0.629  0.674  1.0
  Cr  Cr3  1  0.729  0.371  0.826  1.0
  Cr  Cr4  1  0.595  0.120  0.203  1.0
  Cr  Cr5  1  0.095  0.880  0.297  1.0
  Cr  Cr6  1  0.405  0.880  0.797  1.0
  Cr  Cr7  1  0.905  0.120  0.703  1.0
  N  N8  1  0.668  0.221  0.293  1.0
  N  N9  1  0.168  0.779  0.207  1.0
  N  N10  1  0.332  0.779  0.707  1.0
  N  N11  1  0.832  0.221  0.793  1.0
  N  N12  1  0.848  0.261  0.515  1.0
  N  N13  1  0.348  0.739  0.985  1.0
  N  N14  1  0.152  0.739  0.485  1.0
  N  N15  1  0.652  0.261  0.015  1.0
  N  N16  1  0.533  0.518  0.280  1.0
  N  N17  1  0.033  0.482  0.220  1.0
  N  N18  1  0.467  0.482  0.720  1.0
  N  N19  1  0.967  0.518  0.780  1.0
  N  N20  1  0.781  0.941  0.271  1.0
  N  N21  1  0.281  0.059  0.229  1.0
  N  N22  1  0.219  0.059  0.729  1.0
  N  N23  1  0.719  0.941  0.771  1.0
[/CIF]
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