The structure described by SrTh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve Th(1,1) atoms to form SrTh12 cuboctahedra that share corners with six equivalent Sr(1)Th12 cuboctahedra; corners with twelve equivalent Th(1)Sr4Th8 cuboctahedra; edges with eighteen Th(1,1)Sr4Th8 cuboctahedra; faces with eight equivalent Sr(1)Th12 cuboctahedra; and faces with twelve Th(1,1)Sr4Th8 cuboctahedra. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Sr(1) and eight Th(1,1) atoms to form distorted ThSr4Th8 cuboctahedra that share corners with four equivalent Sr(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Sr4Th8 cuboctahedra; edges with six equivalent Sr(1)Th12 cuboctahedra; edges with twelve Th(1,1)Sr4Th8 cuboctahedra; faces with four equivalent Sr(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Sr4Th8 cuboctahedra. In the second Th site, Th(1) is bonded to four equivalent Sr(1) and eight equivalent Th(1) atoms to form distorted ThSr4Th8 cuboctahedra that share corners with four equivalent Sr(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Sr4Th8 cuboctahedra; edges with six equivalent Sr(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Sr4Th8 cuboctahedra; faces with four equivalent Sr(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Sr4Th8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.377
_cell_length_b   7.377
_cell_length_c   5.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.592
_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
  Sr  Sr0  1  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Th  Th2  1  0.161  0.322  0.250  1.0
  Th  Th3  1  0.678  0.839  0.250  1.0
  Th  Th4  1  0.161  0.839  0.250  1.0
  Th  Th5  1  0.839  0.678  0.750  1.0
  Th  Th6  1  0.322  0.161  0.750  1.0
  Th  Th7  1  0.839  0.161  0.750  1.0
[/CIF]
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The structure described by SrTh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded to twelve Th(1,1) atoms to form SrTh12 cuboctahedra that share corners with six equivalent Sr(1)Th12 cuboctahedra; corners with twelve equivalent Th(1)Sr4Th8 cuboctahedra; edges with eighteen Th(1,1)Sr4Th8 cuboctahedra; faces with eight equivalent Sr(1)Th12 cuboctahedra; and faces with twelve Th(1,1)Sr4Th8 cuboctahedra. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Sr(1) and eight Th(1,1) atoms to form distorted ThSr4Th8 cuboctahedra that share corners with four equivalent Sr(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Sr4Th8 cuboctahedra; edges with six equivalent Sr(1)Th12 cuboctahedra; edges with twelve Th(1,1)Sr4Th8 cuboctahedra; faces with four equivalent Sr(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Sr4Th8 cuboctahedra. In the second Th site, Th(1) is bonded to four equivalent Sr(1) and eight equivalent Th(1) atoms to form distorted ThSr4Th8 cuboctahedra that share corners with four equivalent Sr(1)Th12 cuboctahedra; corners with fourteen Th(1,1)Sr4Th8 cuboctahedra; edges with six equivalent Sr(1)Th12 cuboctahedra; edges with twelve equivalent Th(1)Sr4Th8 cuboctahedra; faces with four equivalent Sr(1)Th12 cuboctahedra; and faces with sixteen Th(1,1)Sr4Th8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.377
_cell_length_b   7.377
_cell_length_c   5.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.592
_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
  Sr  Sr0  1  0.333  0.667  0.750  1.0
  Sr  Sr1  1  0.667  0.333  0.250  1.0
  Th  Th2  1  0.161  0.322  0.250  1.0
  Th  Th3  1  0.678  0.839  0.250  1.0
  Th  Th4  1  0.161  0.839  0.250  1.0
  Th  Th5  1  0.839  0.678  0.750  1.0
  Th  Th6  1  0.322  0.161  0.750  1.0
  Th  Th7  1  0.839  0.161  0.750  1.0
[/CIF]
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