The material described by Sr3Th is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(1), four equivalent Sr(2), and four equivalent Th(1) atoms to form distorted SrSr8Th4 cuboctahedra that share corners with twelve equivalent Sr(1)Sr8Th4 cuboctahedra, edges with eight equivalent Sr(1)Sr8Th4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with eight equivalent Th(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Sr8Th4 cuboctahedra, faces with four equivalent Th(1)Sr12 cuboctahedra, and faces with ten equivalent Sr(1)Sr8Th4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Th(1) atoms to form SrSr8Th4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Th4 cuboctahedra, corners with eight equivalent Th(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Th4 cuboctahedra, faces with four equivalent Sr(2)Sr8Th4 cuboctahedra, faces with six equivalent Th(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Th4 cuboctahedra. Th(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form ThSr12 cuboctahedra that share corners with four equivalent Th(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with eight equivalent Th(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Th4 cuboctahedra, faces with four equivalent Th(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Sr8Th4 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Th4 cuboctahedra. is represented by the CIF card [CIF]
data_Sr3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   130.712
_cell_angle_beta   130.712
_cell_angle_gamma   72.272
_symmetry_Int_Tables_number   1
_cell_volume   183.988
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Sr3Th is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(1), four equivalent Sr(2), and four equivalent Th(1) atoms to form distorted SrSr8Th4 cuboctahedra that share corners with twelve equivalent Sr(1)Sr8Th4 cuboctahedra, edges with eight equivalent Sr(1)Sr8Th4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with eight equivalent Th(1)Sr12 cuboctahedra, faces with four equivalent Sr(2)Sr8Th4 cuboctahedra, faces with four equivalent Th(1)Sr12 cuboctahedra, and faces with ten equivalent Sr(1)Sr8Th4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Th(1) atoms to form SrSr8Th4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Th4 cuboctahedra, corners with eight equivalent Th(1)Sr12 cuboctahedra, edges with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Th4 cuboctahedra, faces with four equivalent Sr(2)Sr8Th4 cuboctahedra, faces with six equivalent Th(1)Sr12 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Th4 cuboctahedra. Th(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form ThSr12 cuboctahedra that share corners with four equivalent Th(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Th4 cuboctahedra, edges with eight equivalent Th(1)Sr12 cuboctahedra, edges with sixteen equivalent Sr(1)Sr8Th4 cuboctahedra, faces with four equivalent Th(1)Sr12 cuboctahedra, faces with six equivalent Sr(2)Sr8Th4 cuboctahedra, and faces with eight equivalent Sr(1)Sr8Th4 cuboctahedra. is represented by the CIF card [CIF]
data_Sr3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.893
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   130.712
_cell_angle_beta   130.712
_cell_angle_gamma   72.272
_symmetry_Int_Tables_number   1
_cell_volume   183.988
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
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