The crystal structure described by Ce2MnN3 crystallizes in the orthorhombic Immm space group. Ce(1) is bonded to two equivalent N(2) and five equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing CeN7 pentagonal bipyramids. Mn(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent Ce(1) and two equivalent Mn(1) atoms to form NCe4Mn2 octahedra that share corners with two equivalent N(2)Ce4Mn2 octahedra, corners with twelve equivalent N(1)Ce5Mn octahedra, edges with two equivalent N(2)Ce4Mn2 octahedra, and faces with four equivalent N(1)Ce5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second N site, N(1) is bonded to five equivalent Ce(1) and one Mn(1) atom to form NCe5Mn octahedra that share corners with five equivalent N(1)Ce5Mn octahedra, corners with six equivalent N(2)Ce4Mn2 octahedra, edges with eight equivalent N(1)Ce5Mn octahedra, and faces with two equivalent N(2)Ce4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Ce2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.478
_cell_length_b   3.834
_cell_length_c   6.723
_cell_angle_alpha   106.562
_cell_angle_beta   104.992
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.755
_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  0.646  0.646  0.292  1.0
  Ce  Ce1  1  0.354  0.354  0.708  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.837  0.837  0.675  1.0
  N  N4  1  0.163  0.163  0.325  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Ce2MnN3 crystallizes in the orthorhombic Immm space group. Ce(1) is bonded to two equivalent N(2) and five equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing CeN7 pentagonal bipyramids. Mn(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent Ce(1) and two equivalent Mn(1) atoms to form NCe4Mn2 octahedra that share corners with two equivalent N(2)Ce4Mn2 octahedra, corners with twelve equivalent N(1)Ce5Mn octahedra, edges with two equivalent N(2)Ce4Mn2 octahedra, and faces with four equivalent N(1)Ce5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second N site, N(1) is bonded to five equivalent Ce(1) and one Mn(1) atom to form NCe5Mn octahedra that share corners with five equivalent N(1)Ce5Mn octahedra, corners with six equivalent N(2)Ce4Mn2 octahedra, edges with eight equivalent N(1)Ce5Mn octahedra, and faces with two equivalent N(2)Ce4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Ce2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.478
_cell_length_b   3.834
_cell_length_c   6.723
_cell_angle_alpha   106.562
_cell_angle_beta   104.992
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.755
_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  0.646  0.646  0.292  1.0
  Ce  Ce1  1  0.354  0.354  0.708  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.837  0.837  0.675  1.0
  N  N4  1  0.163  0.163  0.325  1.0
  N  N5  1  0.000  0.500  0.000  1.0
[/CIF]
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