The structure described by PaCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve equivalent Ce(1) atoms to form PaCe12 cuboctahedra that share corners with six equivalent Pa(1)Ce12 cuboctahedra, corners with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra, edges with eighteen equivalent Ce(1)Ce8Pa4 cuboctahedra, faces with eight equivalent Pa(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra. Ce(1) is bonded to four equivalent Pa(1) and eight equivalent Ce(1) atoms to form distorted CeCe8Pa4 cuboctahedra that share corners with four equivalent Pa(1)Ce12 cuboctahedra, corners with fourteen equivalent Ce(1)Ce8Pa4 cuboctahedra, edges with six equivalent Pa(1)Ce12 cuboctahedra, edges with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra, faces with four equivalent Pa(1)Ce12 cuboctahedra, and faces with sixteen equivalent Ce(1)Ce8Pa4 cuboctahedra. is represented by the CIF file [CIF]
data_Ce3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.506
_cell_length_b   6.506
_cell_length_c   5.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.686
_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  0.830  0.170  0.750  1.0
  Ce  Ce1  1  0.340  0.170  0.750  1.0
  Ce  Ce2  1  0.830  0.660  0.750  1.0
  Ce  Ce3  1  0.170  0.830  0.250  1.0
  Ce  Ce4  1  0.660  0.830  0.250  1.0
  Ce  Ce5  1  0.170  0.340  0.250  1.0
  Pa  Pa6  1  0.667  0.333  0.250  1.0
  Pa  Pa7  1  0.333  0.667  0.750  1.0
[/CIF]
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The structure described by PaCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Pa(1) is bonded to twelve equivalent Ce(1) atoms to form PaCe12 cuboctahedra that share corners with six equivalent Pa(1)Ce12 cuboctahedra, corners with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra, edges with eighteen equivalent Ce(1)Ce8Pa4 cuboctahedra, faces with eight equivalent Pa(1)Ce12 cuboctahedra, and faces with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra. Ce(1) is bonded to four equivalent Pa(1) and eight equivalent Ce(1) atoms to form distorted CeCe8Pa4 cuboctahedra that share corners with four equivalent Pa(1)Ce12 cuboctahedra, corners with fourteen equivalent Ce(1)Ce8Pa4 cuboctahedra, edges with six equivalent Pa(1)Ce12 cuboctahedra, edges with twelve equivalent Ce(1)Ce8Pa4 cuboctahedra, faces with four equivalent Pa(1)Ce12 cuboctahedra, and faces with sixteen equivalent Ce(1)Ce8Pa4 cuboctahedra. is represented by the CIF file [CIF]
data_Ce3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.506
_cell_length_b   6.506
_cell_length_c   5.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.686
_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  0.830  0.170  0.750  1.0
  Ce  Ce1  1  0.340  0.170  0.750  1.0
  Ce  Ce2  1  0.830  0.660  0.750  1.0
  Ce  Ce3  1  0.170  0.830  0.250  1.0
  Ce  Ce4  1  0.660  0.830  0.250  1.0
  Ce  Ce5  1  0.170  0.340  0.250  1.0
  Pa  Pa6  1  0.667  0.333  0.250  1.0
  Pa  Pa7  1  0.333  0.667  0.750  1.0
[/CIF]
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