The crystal structure described by Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Ce(1) atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent Pm(1)Ce4Pm8 cuboctahedra, edges with eight equivalent Pm(1)Ce4Pm8 cuboctahedra, edges with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with eight equivalent Ce(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Ce4Pm8 cuboctahedra, faces with four equivalent Ce(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Ce4Pm8 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Ce(1) atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent Pm(2)Ce4Pm8 cuboctahedra, corners with eight equivalent Ce(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with sixteen equivalent Pm(1)Ce4Pm8 cuboctahedra, faces with four equivalent Pm(2)Ce4Pm8 cuboctahedra, faces with six equivalent Ce(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Ce4Pm8 cuboctahedra. Ce(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form CePm12 cuboctahedra that share corners with four equivalent Ce(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with eight equivalent Ce(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Ce4Pm8 cuboctahedra, faces with four equivalent Ce(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Ce4Pm8 cuboctahedra, and faces with eight equivalent Pm(1)Ce4Pm8 cuboctahedra. is represented by the CIF card [CIF]
data_CePm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.341
_cell_length_b   6.341
_cell_length_c   6.341
_cell_angle_alpha   132.114
_cell_angle_beta   132.114
_cell_angle_gamma   70.049
_symmetry_Int_Tables_number   1
_cell_volume   137.558
_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  0.000  0.000  0.000  1.0
  Pm  Pm1  1  0.750  0.250  0.500  1.0
  Pm  Pm2  1  0.250  0.750  0.500  1.0
  Pm  Pm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Ce(1) atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent Pm(1)Ce4Pm8 cuboctahedra, edges with eight equivalent Pm(1)Ce4Pm8 cuboctahedra, edges with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with eight equivalent Ce(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Ce4Pm8 cuboctahedra, faces with four equivalent Ce(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Ce4Pm8 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Ce(1) atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent Pm(2)Ce4Pm8 cuboctahedra, corners with eight equivalent Ce(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with sixteen equivalent Pm(1)Ce4Pm8 cuboctahedra, faces with four equivalent Pm(2)Ce4Pm8 cuboctahedra, faces with six equivalent Ce(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Ce4Pm8 cuboctahedra. Ce(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form CePm12 cuboctahedra that share corners with four equivalent Ce(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Ce4Pm8 cuboctahedra, edges with eight equivalent Ce(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Ce4Pm8 cuboctahedra, faces with four equivalent Ce(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Ce4Pm8 cuboctahedra, and faces with eight equivalent Pm(1)Ce4Pm8 cuboctahedra. is represented by the CIF card [CIF]
data_CePm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.341
_cell_length_b   6.341
_cell_length_c   6.341
_cell_angle_alpha   132.114
_cell_angle_beta   132.114
_cell_angle_gamma   70.049
_symmetry_Int_Tables_number   1
_cell_volume   137.558
_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  0.000  0.000  0.000  1.0
  Pm  Pm1  1  0.750  0.250  0.500  1.0
  Pm  Pm2  1  0.250  0.750  0.500  1.0
  Pm  Pm3  1  0.500  0.500  0.000  1.0
[/CIF]
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