The compound described by Ac2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ac sites. In the first Ac site, Ac(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Ac site, Ac(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the third Ac site, Ac(3) is bonded to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms to form distorted edge-sharing AcS8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ac(3), two equivalent Ac(2), and three equivalent Ac(1) atoms to form distorted SAc6 octahedra that share corners with three equivalent S(1)Ac6 octahedra, corners with seven equivalent S(3)Ac5 square pyramids, corners with five equivalent S(2)Ac5 trigonal bipyramids, edges with two equivalent S(1)Ac6 octahedra,  an edgeedge with one S(3)Ac5 square pyramid, edges with three equivalent S(2)Ac5 trigonal bipyramids, faces with two equivalent S(1)Ac6 octahedra, faces with two equivalent S(3)Ac5 square pyramids, and  a faceface with one S(2)Ac5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-48°. In the second S site, S(2) is bonded to one Ac(2), two equivalent Ac(1), and two equivalent Ac(3) atoms to form SAc5 trigonal bipyramids that share corners with five equivalent S(1)Ac6 octahedra, corners with four equivalent S(3)Ac5 square pyramids, corners with four equivalent S(2)Ac5 trigonal bipyramids, edges with three equivalent S(1)Ac6 octahedra, edges with four equivalent S(3)Ac5 square pyramids,  an edgeedge with one S(2)Ac5 trigonal bipyramid,  a faceface with one S(1)Ac6 octahedra, and  a faceface with one S(2)Ac5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-51°. In the third S site, S(3) is bonded to one Ac(2), one Ac(3), and three equivalent Ac(1) atoms to form distorted SAc5 square pyramids that share corners with seven equivalent S(1)Ac6 octahedra, corners with five equivalent S(3)Ac5 square pyramids, corners with four equivalent S(2)Ac5 trigonal bipyramids,  an edgeedge with one S(1)Ac6 octahedra, edges with four equivalent S(2)Ac5 trigonal bipyramids, faces with two equivalent S(1)Ac6 octahedra, and  a faceface with one S(3)Ac5 square pyramid. The corner-sharing octahedral tilt angles range from 10-56°. is represented by the CIF card [CIF]
data_Ac2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.998
_cell_length_b   14.998
_cell_length_c   14.998
_cell_angle_alpha   144.742
_cell_angle_beta   144.742
_cell_angle_gamma   50.719
_symmetry_Int_Tables_number   1
_cell_volume   1118.408
_cell_formula_units_Z   8
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  0.854  0.952  0.383  1.0
  Ac  Ac1  1  0.164  0.164  0.000  1.0
  Ac  Ac2  1  0.875  0.505  0.130  1.0
  Ac  Ac3  1  0.181  0.298  0.402  1.0
  Ac  Ac4  1  0.586  0.086  0.500  1.0
  Ac  Ac5  1  0.896  0.779  0.598  1.0
  Ac  Ac6  1  0.375  0.745  0.870  1.0
  Ac  Ac7  1  0.221  0.819  0.117  1.0
  Ac  Ac8  1  0.914  0.414  0.500  1.0
  Ac  Ac9  1  0.495  0.625  0.370  1.0
  Ac  Ac10  1  0.702  0.104  0.883  1.0
  Ac  Ac11  1  0.255  0.125  0.630  1.0
  Ac  Ac12  1  0.836  0.836  0.000  1.0
  Ac  Ac13  1  0.529  0.146  0.098  1.0
  Ac  Ac14  1  0.048  0.431  0.902  1.0
  Ac  Ac15  1  0.569  0.471  0.617  1.0
  S  S16  1  0.506  0.113  0.253  1.0
  S  S17  1  0.071  0.827  0.610  1.0
  S  S18  1  0.860  0.254  0.747  1.0
  S  S19  1  0.890  0.137  0.894  1.0
  S  S20  1  0.244  0.996  0.106  1.0
  S  S21  1  0.217  0.461  0.390  1.0
  S  S22  1  0.851  0.435  0.253  1.0
  S  S23  1  0.533  0.423  0.744  1.0
  S  S24  1  0.402  0.149  0.584  1.0
  S  S25  1  0.182  0.598  0.747  1.0
  S  S26  1  0.679  0.789  0.256  1.0
  S  S27  1  0.211  0.467  0.890  1.0
  S  S28  1  0.577  0.321  0.110  1.0
  S  S29  1  0.565  0.818  0.416  1.0
  S  S30  1  0.173  0.783  0.244  1.0
  S  S31  1  0.863  0.756  0.753  1.0
  S  S32  1  0.746  0.494  0.606  1.0
  S  S33  1  0.539  0.929  0.756  1.0
  S  S34  1  0.004  0.110  0.247  1.0
  S  S35  1  0.568  0.815  0.916  1.0
  S  S36  1  0.899  0.652  0.084  1.0
  S  S37  1  0.887  0.140  0.394  1.0
  S  S38  1  0.185  0.101  0.753  1.0
  S  S39  1  0.348  0.432  0.247  1.0
[/CIF]
.
The compound described by Ac2S3 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ac sites. In the first Ac site, Ac(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Ac site, Ac(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the third Ac site, Ac(3) is bonded to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms to form distorted edge-sharing AcS8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ac(3), two equivalent Ac(2), and three equivalent Ac(1) atoms to form distorted SAc6 octahedra that share corners with three equivalent S(1)Ac6 octahedra, corners with seven equivalent S(3)Ac5 square pyramids, corners with five equivalent S(2)Ac5 trigonal bipyramids, edges with two equivalent S(1)Ac6 octahedra,  an edgeedge with one S(3)Ac5 square pyramid, edges with three equivalent S(2)Ac5 trigonal bipyramids, faces with two equivalent S(1)Ac6 octahedra, faces with two equivalent S(3)Ac5 square pyramids, and  a faceface with one S(2)Ac5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-48°. In the second S site, S(2) is bonded to one Ac(2), two equivalent Ac(1), and two equivalent Ac(3) atoms to form SAc5 trigonal bipyramids that share corners with five equivalent S(1)Ac6 octahedra, corners with four equivalent S(3)Ac5 square pyramids, corners with four equivalent S(2)Ac5 trigonal bipyramids, edges with three equivalent S(1)Ac6 octahedra, edges with four equivalent S(3)Ac5 square pyramids,  an edgeedge with one S(2)Ac5 trigonal bipyramid,  a faceface with one S(1)Ac6 octahedra, and  a faceface with one S(2)Ac5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-51°. In the third S site, S(3) is bonded to one Ac(2), one Ac(3), and three equivalent Ac(1) atoms to form distorted SAc5 square pyramids that share corners with seven equivalent S(1)Ac6 octahedra, corners with five equivalent S(3)Ac5 square pyramids, corners with four equivalent S(2)Ac5 trigonal bipyramids,  an edgeedge with one S(1)Ac6 octahedra, edges with four equivalent S(2)Ac5 trigonal bipyramids, faces with two equivalent S(1)Ac6 octahedra, and  a faceface with one S(3)Ac5 square pyramid. The corner-sharing octahedral tilt angles range from 10-56°. is represented by the CIF card [CIF]
data_Ac2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.998
_cell_length_b   14.998
_cell_length_c   14.998
_cell_angle_alpha   144.742
_cell_angle_beta   144.742
_cell_angle_gamma   50.719
_symmetry_Int_Tables_number   1
_cell_volume   1118.408
_cell_formula_units_Z   8
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  0.854  0.952  0.383  1.0
  Ac  Ac1  1  0.164  0.164  0.000  1.0
  Ac  Ac2  1  0.875  0.505  0.130  1.0
  Ac  Ac3  1  0.181  0.298  0.402  1.0
  Ac  Ac4  1  0.586  0.086  0.500  1.0
  Ac  Ac5  1  0.896  0.779  0.598  1.0
  Ac  Ac6  1  0.375  0.745  0.870  1.0
  Ac  Ac7  1  0.221  0.819  0.117  1.0
  Ac  Ac8  1  0.914  0.414  0.500  1.0
  Ac  Ac9  1  0.495  0.625  0.370  1.0
  Ac  Ac10  1  0.702  0.104  0.883  1.0
  Ac  Ac11  1  0.255  0.125  0.630  1.0
  Ac  Ac12  1  0.836  0.836  0.000  1.0
  Ac  Ac13  1  0.529  0.146  0.098  1.0
  Ac  Ac14  1  0.048  0.431  0.902  1.0
  Ac  Ac15  1  0.569  0.471  0.617  1.0
  S  S16  1  0.506  0.113  0.253  1.0
  S  S17  1  0.071  0.827  0.610  1.0
  S  S18  1  0.860  0.254  0.747  1.0
  S  S19  1  0.890  0.137  0.894  1.0
  S  S20  1  0.244  0.996  0.106  1.0
  S  S21  1  0.217  0.461  0.390  1.0
  S  S22  1  0.851  0.435  0.253  1.0
  S  S23  1  0.533  0.423  0.744  1.0
  S  S24  1  0.402  0.149  0.584  1.0
  S  S25  1  0.182  0.598  0.747  1.0
  S  S26  1  0.679  0.789  0.256  1.0
  S  S27  1  0.211  0.467  0.890  1.0
  S  S28  1  0.577  0.321  0.110  1.0
  S  S29  1  0.565  0.818  0.416  1.0
  S  S30  1  0.173  0.783  0.244  1.0
  S  S31  1  0.863  0.756  0.753  1.0
  S  S32  1  0.746  0.494  0.606  1.0
  S  S33  1  0.539  0.929  0.756  1.0
  S  S34  1  0.004  0.110  0.247  1.0
  S  S35  1  0.568  0.815  0.916  1.0
  S  S36  1  0.899  0.652  0.084  1.0
  S  S37  1  0.887  0.140  0.394  1.0
  S  S38  1  0.185  0.101  0.753  1.0
  S  S39  1  0.348  0.432  0.247  1.0
[/CIF]
.