The material described by Ac3Ce is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded to four equivalent Ac(1), four equivalent Ac(2), and four equivalent Ce(1) atoms to form AcAc8Ce4 cuboctahedra that share corners with twelve equivalent Ac(1)Ac8Ce4 cuboctahedra, edges with eight equivalent Ac(1)Ac8Ce4 cuboctahedra, edges with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ac12 cuboctahedra, faces with four equivalent Ac(2)Ac8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ac12 cuboctahedra, and faces with ten equivalent Ac(1)Ac8Ce4 cuboctahedra. In the second Ac site, Ac(2) is bonded to eight equivalent Ac(1) and four equivalent Ce(1) atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent Ac(2)Ac8Ce4 cuboctahedra, corners with eight equivalent Ce(1)Ac12 cuboctahedra, edges with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with sixteen equivalent Ac(1)Ac8Ce4 cuboctahedra, faces with four equivalent Ac(2)Ac8Ce4 cuboctahedra, faces with six equivalent Ce(1)Ac12 cuboctahedra, and faces with eight equivalent Ac(1)Ac8Ce4 cuboctahedra. Ce(1) is bonded to four equivalent Ac(2) and eight equivalent Ac(1) atoms to form CeAc12 cuboctahedra that share corners with four equivalent Ce(1)Ac12 cuboctahedra, corners with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ac12 cuboctahedra, edges with sixteen equivalent Ac(1)Ac8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ac12 cuboctahedra, faces with six equivalent Ac(2)Ac8Ce4 cuboctahedra, and faces with eight equivalent Ac(1)Ac8Ce4 cuboctahedra. is represented by the CIF file [CIF]
data_Ac3Ce
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   131.621
_cell_angle_beta   131.621
_cell_angle_gamma   70.828
_symmetry_Int_Tables_number   1
_cell_volume   146.961
_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
  Ac  Ac0  1  0.750  0.250  0.500  1.0
  Ac  Ac1  1  0.250  0.750  0.500  1.0
  Ac  Ac2  1  0.500  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Ac3Ce is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded to four equivalent Ac(1), four equivalent Ac(2), and four equivalent Ce(1) atoms to form AcAc8Ce4 cuboctahedra that share corners with twelve equivalent Ac(1)Ac8Ce4 cuboctahedra, edges with eight equivalent Ac(1)Ac8Ce4 cuboctahedra, edges with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ac12 cuboctahedra, faces with four equivalent Ac(2)Ac8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ac12 cuboctahedra, and faces with ten equivalent Ac(1)Ac8Ce4 cuboctahedra. In the second Ac site, Ac(2) is bonded to eight equivalent Ac(1) and four equivalent Ce(1) atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent Ac(2)Ac8Ce4 cuboctahedra, corners with eight equivalent Ce(1)Ac12 cuboctahedra, edges with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with sixteen equivalent Ac(1)Ac8Ce4 cuboctahedra, faces with four equivalent Ac(2)Ac8Ce4 cuboctahedra, faces with six equivalent Ce(1)Ac12 cuboctahedra, and faces with eight equivalent Ac(1)Ac8Ce4 cuboctahedra. Ce(1) is bonded to four equivalent Ac(2) and eight equivalent Ac(1) atoms to form CeAc12 cuboctahedra that share corners with four equivalent Ce(1)Ac12 cuboctahedra, corners with eight equivalent Ac(2)Ac8Ce4 cuboctahedra, edges with eight equivalent Ce(1)Ac12 cuboctahedra, edges with sixteen equivalent Ac(1)Ac8Ce4 cuboctahedra, faces with four equivalent Ce(1)Ac12 cuboctahedra, faces with six equivalent Ac(2)Ac8Ce4 cuboctahedra, and faces with eight equivalent Ac(1)Ac8Ce4 cuboctahedra. is represented by the CIF file [CIF]
data_Ac3Ce
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   131.621
_cell_angle_beta   131.621
_cell_angle_gamma   70.828
_symmetry_Int_Tables_number   1
_cell_volume   146.961
_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
  Ac  Ac0  1  0.750  0.250  0.500  1.0
  Ac  Ac1  1  0.250  0.750  0.500  1.0
  Ac  Ac2  1  0.500  0.500  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
[/CIF]
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