The material described by CrN2 is high (beta) Cristobalite structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to four equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. N(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.641
_cell_length_c   5.641
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.950
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.125  0.125  0.625  1.0
  N  N3  1  0.125  0.625  0.125  1.0
  N  N4  1  0.625  0.125  0.125  1.0
  N  N5  1  0.125  0.125  0.125  1.0
[/CIF]
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The material described by CrN2 is high (beta) Cristobalite structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to four equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. N(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.641
_cell_length_b   5.641
_cell_length_c   5.641
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.950
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.125  0.125  0.625  1.0
  N  N3  1  0.125  0.625  0.125  1.0
  N  N4  1  0.625  0.125  0.125  1.0
  N  N5  1  0.125  0.125  0.125  1.0
[/CIF]
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