The crystal structure described by Ce3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Bi(2) and five equivalent Bi(1) atoms. Mn(1) is bonded to six equivalent Bi(1) atoms to form face-sharing MnBi6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to five equivalent Ce(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiCe5Mn2 pentagonal bipyramids. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_Ce3MnBi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.409
_cell_length_b   9.409
_cell_length_c   6.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   493.243
_cell_formula_units_Z   2
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  0.619  0.000  0.250  1.0
  Ce  Ce1  1  0.381  0.000  0.750  1.0
  Ce  Ce2  1  0.381  0.381  0.250  1.0
  Ce  Ce3  1  0.000  0.619  0.250  1.0
  Ce  Ce4  1  0.000  0.381  0.750  1.0
  Ce  Ce5  1  0.619  0.619  0.750  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  Bi  Bi8  1  0.246  0.246  0.750  1.0
  Bi  Bi9  1  0.754  0.754  0.250  1.0
  Bi  Bi10  1  0.333  0.667  0.500  1.0
  Bi  Bi11  1  0.000  0.246  0.250  1.0
  Bi  Bi12  1  0.246  0.000  0.250  1.0
  Bi  Bi13  1  0.754  0.000  0.750  1.0
  Bi  Bi14  1  0.667  0.333  0.000  1.0
  Bi  Bi15  1  0.000  0.754  0.750  1.0
  Bi  Bi16  1  0.333  0.667  0.000  1.0
  Bi  Bi17  1  0.667  0.333  0.500  1.0
[/CIF]
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The crystal structure described by Ce3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Bi(2) and five equivalent Bi(1) atoms. Mn(1) is bonded to six equivalent Bi(1) atoms to form face-sharing MnBi6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to five equivalent Ce(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner, face, and edge-sharing BiCe5Mn2 pentagonal bipyramids. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_Ce3MnBi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.409
_cell_length_b   9.409
_cell_length_c   6.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   493.243
_cell_formula_units_Z   2
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  0.619  0.000  0.250  1.0
  Ce  Ce1  1  0.381  0.000  0.750  1.0
  Ce  Ce2  1  0.381  0.381  0.250  1.0
  Ce  Ce3  1  0.000  0.619  0.250  1.0
  Ce  Ce4  1  0.000  0.381  0.750  1.0
  Ce  Ce5  1  0.619  0.619  0.750  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  Bi  Bi8  1  0.246  0.246  0.750  1.0
  Bi  Bi9  1  0.754  0.754  0.250  1.0
  Bi  Bi10  1  0.333  0.667  0.500  1.0
  Bi  Bi11  1  0.000  0.246  0.250  1.0
  Bi  Bi12  1  0.246  0.000  0.250  1.0
  Bi  Bi13  1  0.754  0.000  0.750  1.0
  Bi  Bi14  1  0.667  0.333  0.000  1.0
  Bi  Bi15  1  0.000  0.754  0.750  1.0
  Bi  Bi16  1  0.333  0.667  0.000  1.0
  Bi  Bi17  1  0.667  0.333  0.500  1.0
[/CIF]
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