The structure described by CsAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded to twelve Ac(1,1) atoms to form CsAc12 cuboctahedra that share corners with six equivalent Cs(1)Ac12 cuboctahedra; corners with twelve Ac(1,1)Cs4Ac8 cuboctahedra; edges with eighteen Ac(1,1)Cs4Ac8 cuboctahedra; faces with eight equivalent Cs(1)Ac12 cuboctahedra; and faces with twelve Ac(1,1)Cs4Ac8 cuboctahedra. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded to four equivalent Cs(1) and eight Ac(1,1) atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent Cs(1)Ac12 cuboctahedra; corners with fourteen Ac(1,1)Cs4Ac8 cuboctahedra; edges with six equivalent Cs(1)Ac12 cuboctahedra; edges with twelve Ac(1,1)Cs4Ac8 cuboctahedra; faces with four equivalent Cs(1)Ac12 cuboctahedra; and faces with sixteen Ac(1,1)Cs4Ac8 cuboctahedra. In the second Ac site, Ac(1) is bonded to four equivalent Cs(1) and eight equivalent Ac(1) atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent Cs(1)Ac12 cuboctahedra; corners with fourteen Ac(1,1)Cs4Ac8 cuboctahedra; edges with six equivalent Cs(1)Ac12 cuboctahedra; edges with twelve equivalent Ac(1)Cs4Ac8 cuboctahedra; faces with four equivalent Cs(1)Ac12 cuboctahedra; and faces with sixteen Ac(1,1)Cs4Ac8 cuboctahedra. is represented by the CIF card [CIF]
data_CsAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.437
_cell_length_b   8.437
_cell_length_c   6.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   404.312
_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
  Cs  Cs0  1  0.333  0.667  0.750  1.0
  Cs  Cs1  1  0.667  0.333  0.250  1.0
  Ac  Ac2  1  0.160  0.319  0.250  1.0
  Ac  Ac3  1  0.681  0.840  0.250  1.0
  Ac  Ac4  1  0.160  0.840  0.250  1.0
  Ac  Ac5  1  0.840  0.681  0.750  1.0
  Ac  Ac6  1  0.319  0.160  0.750  1.0
  Ac  Ac7  1  0.840  0.160  0.750  1.0
[/CIF]
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The structure described by CsAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded to twelve Ac(1,1) atoms to form CsAc12 cuboctahedra that share corners with six equivalent Cs(1)Ac12 cuboctahedra; corners with twelve Ac(1,1)Cs4Ac8 cuboctahedra; edges with eighteen Ac(1,1)Cs4Ac8 cuboctahedra; faces with eight equivalent Cs(1)Ac12 cuboctahedra; and faces with twelve Ac(1,1)Cs4Ac8 cuboctahedra. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded to four equivalent Cs(1) and eight Ac(1,1) atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent Cs(1)Ac12 cuboctahedra; corners with fourteen Ac(1,1)Cs4Ac8 cuboctahedra; edges with six equivalent Cs(1)Ac12 cuboctahedra; edges with twelve Ac(1,1)Cs4Ac8 cuboctahedra; faces with four equivalent Cs(1)Ac12 cuboctahedra; and faces with sixteen Ac(1,1)Cs4Ac8 cuboctahedra. In the second Ac site, Ac(1) is bonded to four equivalent Cs(1) and eight equivalent Ac(1) atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent Cs(1)Ac12 cuboctahedra; corners with fourteen Ac(1,1)Cs4Ac8 cuboctahedra; edges with six equivalent Cs(1)Ac12 cuboctahedra; edges with twelve equivalent Ac(1)Cs4Ac8 cuboctahedra; faces with four equivalent Cs(1)Ac12 cuboctahedra; and faces with sixteen Ac(1,1)Cs4Ac8 cuboctahedra. is represented by the CIF card [CIF]
data_CsAc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.437
_cell_length_b   8.437
_cell_length_c   6.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   404.312
_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
  Cs  Cs0  1  0.333  0.667  0.750  1.0
  Cs  Cs1  1  0.667  0.333  0.250  1.0
  Ac  Ac2  1  0.160  0.319  0.250  1.0
  Ac  Ac3  1  0.681  0.840  0.250  1.0
  Ac  Ac4  1  0.160  0.840  0.250  1.0
  Ac  Ac5  1  0.840  0.681  0.750  1.0
  Ac  Ac6  1  0.319  0.160  0.750  1.0
  Ac  Ac7  1  0.840  0.160  0.750  1.0
[/CIF]
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