The material described by AcCe3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ac(1) is bonded to twelve Ce(1,1) atoms to form AcCe12 cuboctahedra that share corners with six equivalent Ac(1)Ce12 cuboctahedra; corners with twelve Ce(1,1)Ac4Ce8 cuboctahedra; edges with eighteen Ce(1,1)Ac4Ce8 cuboctahedra; faces with eight equivalent Ac(1)Ce12 cuboctahedra; and faces with twelve Ce(1,1)Ac4Ce8 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ac(1) and eight Ce(1,1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Ac4Ce8 cuboctahedra; edges with six equivalent Ac(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ac4Ce8 cuboctahedra; faces with four equivalent Ac(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1)Ac4Ce8 cuboctahedra. In the second Ce site, Ce(1) is bonded to four equivalent Ac(1) and eight Ce(1,1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Ac4Ce8 cuboctahedra; edges with six equivalent Ac(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ac4Ce8 cuboctahedra; faces with four equivalent Ac(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1)Ac4Ce8 cuboctahedra. is represented by the CIF card [CIF]
data_AcCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   261.995
_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
  Ac  Ac0  1  0.333  0.667  0.750  1.0
  Ac  Ac1  1  0.667  0.333  0.250  1.0
  Ce  Ce2  1  0.156  0.313  0.250  1.0
  Ce  Ce3  1  0.687  0.844  0.250  1.0
  Ce  Ce4  1  0.156  0.844  0.250  1.0
  Ce  Ce5  1  0.844  0.687  0.750  1.0
  Ce  Ce6  1  0.313  0.156  0.750  1.0
  Ce  Ce7  1  0.844  0.156  0.750  1.0
[/CIF]
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The material described by AcCe3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ac(1) is bonded to twelve Ce(1,1) atoms to form AcCe12 cuboctahedra that share corners with six equivalent Ac(1)Ce12 cuboctahedra; corners with twelve Ce(1,1)Ac4Ce8 cuboctahedra; edges with eighteen Ce(1,1)Ac4Ce8 cuboctahedra; faces with eight equivalent Ac(1)Ce12 cuboctahedra; and faces with twelve Ce(1,1)Ac4Ce8 cuboctahedra. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ac(1) and eight Ce(1,1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Ac4Ce8 cuboctahedra; edges with six equivalent Ac(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ac4Ce8 cuboctahedra; faces with four equivalent Ac(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1)Ac4Ce8 cuboctahedra. In the second Ce site, Ce(1) is bonded to four equivalent Ac(1) and eight Ce(1,1) atoms to form CeAc4Ce8 cuboctahedra that share corners with four equivalent Ac(1)Ce12 cuboctahedra; corners with fourteen Ce(1,1)Ac4Ce8 cuboctahedra; edges with six equivalent Ac(1)Ce12 cuboctahedra; edges with twelve Ce(1,1)Ac4Ce8 cuboctahedra; faces with four equivalent Ac(1)Ce12 cuboctahedra; and faces with sixteen Ce(1,1)Ac4Ce8 cuboctahedra. is represented by the CIF card [CIF]
data_AcCe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   261.995
_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
  Ac  Ac0  1  0.333  0.667  0.750  1.0
  Ac  Ac1  1  0.667  0.333  0.250  1.0
  Ce  Ce2  1  0.156  0.313  0.250  1.0
  Ce  Ce3  1  0.687  0.844  0.250  1.0
  Ce  Ce4  1  0.156  0.844  0.250  1.0
  Ce  Ce5  1  0.844  0.687  0.750  1.0
  Ce  Ce6  1  0.313  0.156  0.750  1.0
  Ce  Ce7  1  0.844  0.156  0.750  1.0
[/CIF]
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