The compound described by CeN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Ce site, Ce(3) is bonded to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms to form distorted corner-sharing CeN6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form distorted corner-sharing NCe4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one N(5) atom. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Ce(3), two equivalent Ce(1), and one N(6) atom. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one N(2) atom. In the sixth N site, N(6) is bonded in a distorted square co-planar geometry to one Ce(2), two equivalent Ce(1), and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.709
_cell_length_b   6.389
_cell_length_c   5.892
_cell_angle_alpha   64.995
_cell_angle_beta   90.002
_cell_angle_gamma   111.627
_symmetry_Int_Tables_number   1
_cell_volume   146.775
_cell_formula_units_Z   3
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
  Ce  Ce0  1  0.628  0.257  0.094  1.0
  Ce  Ce1  1  0.833  0.665  0.456  1.0
  Ce  Ce2  1  0.411  0.823  0.836  1.0
  N  N3  1  0.846  0.692  0.823  1.0
  N  N4  1  0.390  0.779  0.246  1.0
  N  N5  1  0.182  0.365  0.103  1.0
  N  N6  1  0.627  0.254  0.721  1.0
  N  N7  1  0.393  0.787  0.463  1.0
  N  N8  1  0.067  0.133  0.212  1.0
[/CIF]
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The compound described by CeN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Ce site, Ce(3) is bonded to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms to form distorted corner-sharing CeN6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form distorted corner-sharing NCe4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one N(5) atom. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Ce(3), two equivalent Ce(1), and one N(6) atom. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one N(2) atom. In the sixth N site, N(6) is bonded in a distorted square co-planar geometry to one Ce(2), two equivalent Ce(1), and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.709
_cell_length_b   6.389
_cell_length_c   5.892
_cell_angle_alpha   64.995
_cell_angle_beta   90.002
_cell_angle_gamma   111.627
_symmetry_Int_Tables_number   1
_cell_volume   146.775
_cell_formula_units_Z   3
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
  Ce  Ce0  1  0.628  0.257  0.094  1.0
  Ce  Ce1  1  0.833  0.665  0.456  1.0
  Ce  Ce2  1  0.411  0.823  0.836  1.0
  N  N3  1  0.846  0.692  0.823  1.0
  N  N4  1  0.390  0.779  0.246  1.0
  N  N5  1  0.182  0.365  0.103  1.0
  N  N6  1  0.627  0.254  0.721  1.0
  N  N7  1  0.393  0.787  0.463  1.0
  N  N8  1  0.067  0.133  0.212  1.0
[/CIF]
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