The material described by CeLaMn2O6 crystallizes in the trigonal R32 space group. Ce(1) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. La(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), two equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LaCeMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.578
_cell_angle_alpha   61.176
_cell_angle_beta   61.176
_cell_angle_gamma   61.176
_symmetry_Int_Tables_number   1
_cell_volume   125.973
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.751  0.751  0.751  1.0
  Mn  Mn3  1  0.249  0.249  0.249  1.0
  O  O4  1  0.085  0.915  0.500  1.0
  O  O5  1  0.500  0.085  0.915  1.0
  O  O6  1  0.915  0.500  0.085  1.0
  O  O7  1  0.000  0.395  0.605  1.0
  O  O8  1  0.605  0.000  0.395  1.0
  O  O9  1  0.395  0.605  0.000  1.0
[/CIF]
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The material described by CeLaMn2O6 crystallizes in the trigonal R32 space group. Ce(1) is bonded in a distorted trigonal planar geometry to three equivalent O(2) atoms. La(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), two equivalent La(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LaCeMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.578
_cell_angle_alpha   61.176
_cell_angle_beta   61.176
_cell_angle_gamma   61.176
_symmetry_Int_Tables_number   1
_cell_volume   125.973
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.751  0.751  0.751  1.0
  Mn  Mn3  1  0.249  0.249  0.249  1.0
  O  O4  1  0.085  0.915  0.500  1.0
  O  O5  1  0.500  0.085  0.915  1.0
  O  O6  1  0.915  0.500  0.085  1.0
  O  O7  1  0.000  0.395  0.605  1.0
  O  O8  1  0.605  0.000  0.395  1.0
  O  O9  1  0.395  0.605  0.000  1.0
[/CIF]
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