The structure described by AcCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ac(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form AcCe12 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra, corners with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, edges with eight equivalent Ac(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ac4Ce8 cuboctahedra, faces with four equivalent Ac(1)Ce12 cuboctahedra, faces with six equivalent Ce(2)Ac4Ce8 cuboctahedra, and faces with eight equivalent Ce(1)Ac4Ce8 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ac(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeAc4Ce8 cuboctahedra that share corners with twelve equivalent Ce(1)Ac4Ce8 cuboctahedra, edges with eight equivalent Ac(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ac4Ce8 cuboctahedra, edges with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, faces with four equivalent Ac(1)Ce12 cuboctahedra, faces with four equivalent Ce(2)Ac4Ce8 cuboctahedra, and faces with ten equivalent Ce(1)Ac4Ce8 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Ac(1) and eight equivalent Ce(1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ce(2)Ac4Ce8 cuboctahedra, corners with eight equivalent Ac(1)Ce12 cuboctahedra, edges with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, edges with sixteen equivalent Ce(1)Ac4Ce8 cuboctahedra, faces with four equivalent Ce(2)Ac4Ce8 cuboctahedra, faces with six equivalent Ac(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ac4Ce8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AcCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   131.990
_cell_angle_beta   131.990
_cell_angle_gamma   70.244
_symmetry_Int_Tables_number   1
_cell_volume   124.991
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.750  0.250  0.500  1.0
  Ce  Ce2  1  0.250  0.750  0.500  1.0
  Ce  Ce3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by AcCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Ac(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form AcCe12 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra, corners with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, edges with eight equivalent Ac(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ac4Ce8 cuboctahedra, faces with four equivalent Ac(1)Ce12 cuboctahedra, faces with six equivalent Ce(2)Ac4Ce8 cuboctahedra, and faces with eight equivalent Ce(1)Ac4Ce8 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ac(1), four equivalent Ce(1), and four equivalent Ce(2) atoms to form CeAc4Ce8 cuboctahedra that share corners with twelve equivalent Ce(1)Ac4Ce8 cuboctahedra, edges with eight equivalent Ac(1)Ce12 cuboctahedra, edges with eight equivalent Ce(1)Ac4Ce8 cuboctahedra, edges with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, faces with four equivalent Ac(1)Ce12 cuboctahedra, faces with four equivalent Ce(2)Ac4Ce8 cuboctahedra, and faces with ten equivalent Ce(1)Ac4Ce8 cuboctahedra. In the second Ce site, Ce(2) is bonded to four equivalent Ac(1) and eight equivalent Ce(1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ce(2)Ac4Ce8 cuboctahedra, corners with eight equivalent Ac(1)Ce12 cuboctahedra, edges with eight equivalent Ce(2)Ac4Ce8 cuboctahedra, edges with sixteen equivalent Ce(1)Ac4Ce8 cuboctahedra, faces with four equivalent Ce(2)Ac4Ce8 cuboctahedra, faces with six equivalent Ac(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ac4Ce8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AcCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   6.134
_cell_length_c   6.134
_cell_angle_alpha   131.990
_cell_angle_beta   131.990
_cell_angle_gamma   70.244
_symmetry_Int_Tables_number   1
_cell_volume   124.991
_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  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.750  0.250  0.500  1.0
  Ce  Ce2  1  0.250  0.750  0.500  1.0
  Ce  Ce3  1  0.500  0.500  0.000  1.0
[/CIF]
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