The compound described by CrN2 crystallizes in the monoclinic P2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), one N(4), and one N(5) 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(5) atom to form corner-sharing CrN4 tetrahedra. There are five 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 bent 150 degrees geometry to two equivalent Cr(2) atoms. In the third N site, N(3) is bonded in a water-like geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   4.588
_cell_length_c   8.284
_cell_angle_alpha   84.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.321
_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  0.016  0.167  0.319  1.0
  Cr  Cr1  1  0.016  0.833  0.681  1.0
  Cr  Cr2  1  0.420  0.408  0.811  1.0
  Cr  Cr3  1  0.420  0.592  0.189  1.0
  N  N4  1  0.243  0.083  0.785  1.0
  N  N5  1  0.243  0.917  0.215  1.0
  N  N6  1  0.313  0.500  0.000  1.0
  N  N7  1  0.268  0.396  0.370  1.0
  N  N8  1  0.268  0.604  0.630  1.0
  N  N9  1  0.878  0.000  0.500  1.0
  N  N10  1  0.755  0.579  0.778  1.0
  N  N11  1  0.755  0.421  0.222  1.0
[/CIF]
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The compound described by CrN2 crystallizes in the monoclinic P2 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), one N(4), and one N(5) 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(5) atom to form corner-sharing CrN4 tetrahedra. There are five 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 bent 150 degrees geometry to two equivalent Cr(2) atoms. In the third N site, N(3) is bonded in a water-like geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   4.588
_cell_length_c   8.284
_cell_angle_alpha   84.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.321
_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  0.016  0.167  0.319  1.0
  Cr  Cr1  1  0.016  0.833  0.681  1.0
  Cr  Cr2  1  0.420  0.408  0.811  1.0
  Cr  Cr3  1  0.420  0.592  0.189  1.0
  N  N4  1  0.243  0.083  0.785  1.0
  N  N5  1  0.243  0.917  0.215  1.0
  N  N6  1  0.313  0.500  0.000  1.0
  N  N7  1  0.268  0.396  0.370  1.0
  N  N8  1  0.268  0.604  0.630  1.0
  N  N9  1  0.878  0.000  0.500  1.0
  N  N10  1  0.755  0.579  0.778  1.0
  N  N11  1  0.755  0.421  0.222  1.0
[/CIF]
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