The structure described by Ce2MnN3F is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(2), four equivalent N(1), and four equivalent F(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to four equivalent N(1), four equivalent N(2), and one F(1) atom. Mn(1) is bonded to one N(2), four equivalent N(1), and one F(1) atom to form distorted corner-sharing MnN5F octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NCe4Mn2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second N site, N(2) is bonded in a distorted linear geometry to one Ce(1), four equivalent Ce(2), and one Mn(1) atom. F(1) is bonded in a 6-coordinate geometry to one Ce(2), four equivalent Ce(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ce2MnN3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.893
_cell_length_c   6.861
_cell_angle_alpha   73.519
_cell_angle_beta   73.519
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   95.223
_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  0.373  0.373  0.254  1.0
  Ce  Ce1  1  0.636  0.636  0.728  1.0
  Mn  Mn2  1  0.021  0.021  0.957  1.0
  N  N3  1  0.995  0.495  0.009  1.0
  N  N4  1  0.495  0.995  0.009  1.0
  N  N5  1  0.191  0.191  0.618  1.0
  F  F6  1  0.821  0.821  0.359  1.0
[/CIF]
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The structure described by Ce2MnN3F is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(2), four equivalent N(1), and four equivalent F(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to four equivalent N(1), four equivalent N(2), and one F(1) atom. Mn(1) is bonded to one N(2), four equivalent N(1), and one F(1) atom to form distorted corner-sharing MnN5F octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NCe4Mn2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second N site, N(2) is bonded in a distorted linear geometry to one Ce(1), four equivalent Ce(2), and one Mn(1) atom. F(1) is bonded in a 6-coordinate geometry to one Ce(2), four equivalent Ce(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ce2MnN3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.893
_cell_length_c   6.861
_cell_angle_alpha   73.519
_cell_angle_beta   73.519
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   95.223
_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  0.373  0.373  0.254  1.0
  Ce  Ce1  1  0.636  0.636  0.728  1.0
  Mn  Mn2  1  0.021  0.021  0.957  1.0
  N  N3  1  0.995  0.495  0.009  1.0
  N  N4  1  0.495  0.995  0.009  1.0
  N  N5  1  0.191  0.191  0.618  1.0
  F  F6  1  0.821  0.821  0.359  1.0
[/CIF]
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