The compound described by CrN2 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), one N(5), and one N(8) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(4), one N(5), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(3), and one N(7) atom to form distorted corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one N(4), one N(6), one N(7), and one N(8) atom to form corner-sharing CrN4 tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one N(6) atom. In the second N site, N(2) is bonded in an L-shaped geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one Cr(2) and one Cr(4) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(4), and one N(1) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(4) atom. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   6.038
_cell_length_c   6.840
_cell_angle_alpha   116.057
_cell_angle_beta   91.257
_cell_angle_gamma   81.577
_symmetry_Int_Tables_number   1
_cell_volume   203.216
_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  0.795  0.124  0.637  1.0
  Cr  Cr1  1  0.958  0.676  0.205  1.0
  Cr  Cr2  1  0.301  0.314  0.991  1.0
  Cr  Cr3  1  0.726  0.167  0.209  1.0
  N  N4  1  0.987  0.243  0.888  1.0
  N  N5  1  0.267  0.644  0.155  1.0
  N  N6  1  0.518  0.208  0.780  1.0
  N  N7  1  0.828  0.857  0.071  1.0
  N  N8  1  0.886  0.808  0.481  1.0
  N  N9  1  0.891  0.343  0.091  1.0
  N  N10  1  0.414  0.200  0.171  1.0
  N  N11  1  0.778  0.290  0.486  1.0
[/CIF]
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The compound described by CrN2 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), one N(5), and one N(8) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(4), one N(5), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(3), and one N(7) atom to form distorted corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one N(4), one N(6), one N(7), and one N(8) atom to form corner-sharing CrN4 tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one N(6) atom. In the second N site, N(2) is bonded in an L-shaped geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one Cr(2) and one Cr(4) atom. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(4), and one N(1) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one Cr(3) and one Cr(4) atom. In the eighth N site, N(8) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(4) atom. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   6.038
_cell_length_c   6.840
_cell_angle_alpha   116.057
_cell_angle_beta   91.257
_cell_angle_gamma   81.577
_symmetry_Int_Tables_number   1
_cell_volume   203.216
_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  0.795  0.124  0.637  1.0
  Cr  Cr1  1  0.958  0.676  0.205  1.0
  Cr  Cr2  1  0.301  0.314  0.991  1.0
  Cr  Cr3  1  0.726  0.167  0.209  1.0
  N  N4  1  0.987  0.243  0.888  1.0
  N  N5  1  0.267  0.644  0.155  1.0
  N  N6  1  0.518  0.208  0.780  1.0
  N  N7  1  0.828  0.857  0.071  1.0
  N  N8  1  0.886  0.808  0.481  1.0
  N  N9  1  0.891  0.343  0.091  1.0
  N  N10  1  0.414  0.200  0.171  1.0
  N  N11  1  0.778  0.290  0.486  1.0
[/CIF]
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