The material described by Ac2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Ac(1) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner, edge, and face-sharing AcS6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. S(1) is bonded to four equivalent Ac(1) atoms to form a mixture of distorted corner and edge-sharing SAc4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ac2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.620
_cell_length_c   7.876
_cell_angle_alpha   118.931
_cell_angle_beta   61.069
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.465
_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  0.643  0.357  0.070  1.0
  Ac  Ac1  1  0.857  0.143  0.430  1.0
  Ac  Ac2  1  0.143  0.857  0.570  1.0
  Ac  Ac3  1  0.357  0.643  0.930  1.0
  S  S4  1  0.539  0.750  0.250  1.0
  S  S5  1  0.250  0.039  0.250  1.0
  S  S6  1  0.961  0.461  0.250  1.0
  S  S7  1  0.039  0.539  0.750  1.0
  S  S8  1  0.750  0.961  0.750  1.0
  S  S9  1  0.461  0.250  0.750  1.0
[/CIF]
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The material described by Ac2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Ac(1) is bonded to six equivalent S(1) atoms to form a mixture of distorted corner, edge, and face-sharing AcS6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. S(1) is bonded to four equivalent Ac(1) atoms to form a mixture of distorted corner and edge-sharing SAc4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ac2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.620
_cell_length_c   7.876
_cell_angle_alpha   118.931
_cell_angle_beta   61.069
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.465
_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  0.643  0.357  0.070  1.0
  Ac  Ac1  1  0.857  0.143  0.430  1.0
  Ac  Ac2  1  0.143  0.857  0.570  1.0
  Ac  Ac3  1  0.357  0.643  0.930  1.0
  S  S4  1  0.539  0.750  0.250  1.0
  S  S5  1  0.250  0.039  0.250  1.0
  S  S6  1  0.961  0.461  0.250  1.0
  S  S7  1  0.039  0.539  0.750  1.0
  S  S8  1  0.750  0.961  0.750  1.0
  S  S9  1  0.461  0.250  0.750  1.0
[/CIF]
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