The compound described by CaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve equivalent Ac(1) atoms to form CaAc12 cuboctahedra that share corners with six equivalent Ca(1)Ac12 cuboctahedra, corners with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra, edges with eighteen equivalent Ac(1)Ca4Ac8 cuboctahedra, faces with eight equivalent Ca(1)Ac12 cuboctahedra, and faces with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra. Ac(1) is bonded to four equivalent Ca(1) and eight equivalent Ac(1) atoms to form AcCa4Ac8 cuboctahedra that share corners with four equivalent Ca(1)Ac12 cuboctahedra, corners with fourteen equivalent Ac(1)Ca4Ac8 cuboctahedra, edges with six equivalent Ca(1)Ac12 cuboctahedra, edges with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra, faces with four equivalent Ca(1)Ac12 cuboctahedra, and faces with sixteen equivalent Ac(1)Ca4Ac8 cuboctahedra. is represented by the CIF file [CIF]
data_CaAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.052
_cell_length_b   8.052
_cell_length_c   6.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   371.076
_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
  Ca  Ca0  1  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  Ac  Ac2  1  0.168  0.336  0.250  1.0
  Ac  Ac3  1  0.664  0.832  0.250  1.0
  Ac  Ac4  1  0.168  0.832  0.250  1.0
  Ac  Ac5  1  0.832  0.664  0.750  1.0
  Ac  Ac6  1  0.336  0.168  0.750  1.0
  Ac  Ac7  1  0.832  0.168  0.750  1.0
[/CIF]
.
The compound described by CaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve equivalent Ac(1) atoms to form CaAc12 cuboctahedra that share corners with six equivalent Ca(1)Ac12 cuboctahedra, corners with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra, edges with eighteen equivalent Ac(1)Ca4Ac8 cuboctahedra, faces with eight equivalent Ca(1)Ac12 cuboctahedra, and faces with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra. Ac(1) is bonded to four equivalent Ca(1) and eight equivalent Ac(1) atoms to form AcCa4Ac8 cuboctahedra that share corners with four equivalent Ca(1)Ac12 cuboctahedra, corners with fourteen equivalent Ac(1)Ca4Ac8 cuboctahedra, edges with six equivalent Ca(1)Ac12 cuboctahedra, edges with twelve equivalent Ac(1)Ca4Ac8 cuboctahedra, faces with four equivalent Ca(1)Ac12 cuboctahedra, and faces with sixteen equivalent Ac(1)Ca4Ac8 cuboctahedra. is represented by the CIF file [CIF]
data_CaAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.052
_cell_length_b   8.052
_cell_length_c   6.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   371.076
_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
  Ca  Ca0  1  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  Ac  Ac2  1  0.168  0.336  0.250  1.0
  Ac  Ac3  1  0.664  0.832  0.250  1.0
  Ac  Ac4  1  0.168  0.832  0.250  1.0
  Ac  Ac5  1  0.832  0.664  0.750  1.0
  Ac  Ac6  1  0.336  0.168  0.750  1.0
  Ac  Ac7  1  0.832  0.168  0.750  1.0
[/CIF]
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