The material described by Ce2Fe12Co5N3 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a trigonal planar geometry to one Co(2), three equivalent Co(1), and three equivalent N(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(2), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Co(2), two equivalent Co(1), and one N(1) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(1), four equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(2) atoms to form distorted CoCe2Fe8Co2 cuboctahedra that share corners with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with two equivalent N(1)Ce2Fe4 octahedra, faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, and faces with four equivalent N(1)Ce2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ce(1), three equivalent Fe(2), six equivalent Fe(1), one Co(2), and three equivalent Co(1) atoms. N(1) is bonded to two equivalent Ce(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NCe2Fe4 octahedra that share corners with two equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with four equivalent N(1)Ce2Fe4 octahedra, and faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF card [CIF]
data_Ce2Fe12Co5N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.509
_cell_length_b   6.509
_cell_length_c   6.509
_cell_angle_alpha   82.939
_cell_angle_beta   82.939
_cell_angle_gamma   82.939
_symmetry_Int_Tables_number   1
_cell_volume   270.029
_cell_formula_units_Z   1
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  0.656  0.656  0.656  1.0
  Ce  Ce1  1  0.344  0.344  0.344  1.0
  Fe  Fe2  1  0.281  0.719  0.000  1.0
  Fe  Fe3  1  0.719  0.000  0.281  1.0
  Fe  Fe4  1  0.000  0.281  0.719  1.0
  Fe  Fe5  1  0.281  0.000  0.719  1.0
  Fe  Fe6  1  0.000  0.719  0.281  1.0
  Fe  Fe7  1  0.719  0.281  0.000  1.0
  Fe  Fe8  1  0.340  0.340  0.861  1.0
  Fe  Fe9  1  0.340  0.861  0.340  1.0
  Fe  Fe10  1  0.861  0.340  0.340  1.0
  Fe  Fe11  1  0.660  0.660  0.139  1.0
  Fe  Fe12  1  0.660  0.139  0.660  1.0
  Fe  Fe13  1  0.139  0.660  0.660  1.0
  Co  Co14  1  0.000  0.000  0.500  1.0
  Co  Co15  1  0.000  0.500  0.000  1.0
  Co  Co16  1  0.500  0.000  0.000  1.0
  Co  Co17  1  0.907  0.907  0.907  1.0
  Co  Co18  1  0.093  0.093  0.093  1.0
  N  N19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.500  0.000  0.500  1.0
  N  N21  1  0.000  0.500  0.500  1.0
[/CIF]
.
The material described by Ce2Fe12Co5N3 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a trigonal planar geometry to one Co(2), three equivalent Co(1), and three equivalent N(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(2), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Co(2), two equivalent Co(1), and one N(1) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(1), four equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(2) atoms to form distorted CoCe2Fe8Co2 cuboctahedra that share corners with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with two equivalent N(1)Ce2Fe4 octahedra, faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, and faces with four equivalent N(1)Ce2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ce(1), three equivalent Fe(2), six equivalent Fe(1), one Co(2), and three equivalent Co(1) atoms. N(1) is bonded to two equivalent Ce(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NCe2Fe4 octahedra that share corners with two equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with four equivalent N(1)Ce2Fe4 octahedra, and faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF card [CIF]
data_Ce2Fe12Co5N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.509
_cell_length_b   6.509
_cell_length_c   6.509
_cell_angle_alpha   82.939
_cell_angle_beta   82.939
_cell_angle_gamma   82.939
_symmetry_Int_Tables_number   1
_cell_volume   270.029
_cell_formula_units_Z   1
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  0.656  0.656  0.656  1.0
  Ce  Ce1  1  0.344  0.344  0.344  1.0
  Fe  Fe2  1  0.281  0.719  0.000  1.0
  Fe  Fe3  1  0.719  0.000  0.281  1.0
  Fe  Fe4  1  0.000  0.281  0.719  1.0
  Fe  Fe5  1  0.281  0.000  0.719  1.0
  Fe  Fe6  1  0.000  0.719  0.281  1.0
  Fe  Fe7  1  0.719  0.281  0.000  1.0
  Fe  Fe8  1  0.340  0.340  0.861  1.0
  Fe  Fe9  1  0.340  0.861  0.340  1.0
  Fe  Fe10  1  0.861  0.340  0.340  1.0
  Fe  Fe11  1  0.660  0.660  0.139  1.0
  Fe  Fe12  1  0.660  0.139  0.660  1.0
  Fe  Fe13  1  0.139  0.660  0.660  1.0
  Co  Co14  1  0.000  0.000  0.500  1.0
  Co  Co15  1  0.000  0.500  0.000  1.0
  Co  Co16  1  0.500  0.000  0.000  1.0
  Co  Co17  1  0.907  0.907  0.907  1.0
  Co  Co18  1  0.093  0.093  0.093  1.0
  N  N19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.500  0.000  0.500  1.0
  N  N21  1  0.000  0.500  0.500  1.0
[/CIF]
.