The material structure described by CrN2 is High (Orthorhombic) Tridymite structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a linear 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 linear geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.970
_cell_length_b   5.603
_cell_length_c   5.623
_cell_angle_alpha   60.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.428
_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  0.811  0.625  0.644  1.0
  Cr  Cr1  1  0.311  0.375  0.356  1.0
  Cr  Cr2  1  0.189  0.709  0.690  1.0
  Cr  Cr3  1  0.689  0.291  0.310  1.0
  N  N4  1  0.496  0.335  0.335  1.0
  N  N5  1  0.996  0.665  0.665  1.0
  N  N6  1  0.239  0.553  0.028  1.0
  N  N7  1  0.739  0.447  0.972  1.0
  N  N8  1  0.731  0.945  0.469  1.0
  N  N9  1  0.231  0.055  0.531  1.0
  N  N10  1  0.276  0.559  0.531  1.0
  N  N11  1  0.776  0.441  0.469  1.0
[/CIF]
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The material structure described by CrN2 is High (Orthorhombic) Tridymite structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a linear 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 linear geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.970
_cell_length_b   5.603
_cell_length_c   5.623
_cell_angle_alpha   60.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.428
_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  0.811  0.625  0.644  1.0
  Cr  Cr1  1  0.311  0.375  0.356  1.0
  Cr  Cr2  1  0.189  0.709  0.690  1.0
  Cr  Cr3  1  0.689  0.291  0.310  1.0
  N  N4  1  0.496  0.335  0.335  1.0
  N  N5  1  0.996  0.665  0.665  1.0
  N  N6  1  0.239  0.553  0.028  1.0
  N  N7  1  0.739  0.447  0.972  1.0
  N  N8  1  0.731  0.945  0.469  1.0
  N  N9  1  0.231  0.055  0.531  1.0
  N  N10  1  0.276  0.559  0.531  1.0
  N  N11  1  0.776  0.441  0.469  1.0
[/CIF]
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