The material described by Th3(SbAs)2 crystallizes in the cubic I2_13 space group. Th(1) is bonded to four equivalent Sb(1) and four equivalent As(1) atoms to form a mixture of distorted face, corner, and edge-sharing ThSb4As4 hexagonal bipyramids. Sb(1) is bonded in a 6-coordinate geometry to six equivalent Th(1) atoms. As(1) is bonded to six equivalent Th(1) atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. is represented by the CIF card [CIF]
data_Th3(SbAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   7.950
_cell_length_c   7.950
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   386.748
_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
  Th  Th0  1  0.750  0.390  0.640  1.0
  Th  Th1  1  0.250  0.110  0.860  1.0
  Th  Th2  1  0.110  0.860  0.250  1.0
  Th  Th3  1  0.390  0.640  0.750  1.0
  Th  Th4  1  0.640  0.750  0.390  1.0
  Th  Th5  1  0.860  0.250  0.110  1.0
  Sb  Sb6  1  0.170  0.500  0.000  1.0
  Sb  Sb7  1  0.330  0.330  0.330  1.0
  Sb  Sb8  1  0.000  0.170  0.500  1.0
  Sb  Sb9  1  0.500  0.000  0.170  1.0
  As  As10  1  0.849  0.849  0.849  1.0
  As  As11  1  0.651  0.500  0.000  1.0
  As  As12  1  0.000  0.651  0.500  1.0
  As  As13  1  0.500  0.000  0.651  1.0
[/CIF]
.
The material described by Th3(SbAs)2 crystallizes in the cubic I2_13 space group. Th(1) is bonded to four equivalent Sb(1) and four equivalent As(1) atoms to form a mixture of distorted face, corner, and edge-sharing ThSb4As4 hexagonal bipyramids. Sb(1) is bonded in a 6-coordinate geometry to six equivalent Th(1) atoms. As(1) is bonded to six equivalent Th(1) atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedral tilt angles range from 22-46°. is represented by the CIF card [CIF]
data_Th3(SbAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.950
_cell_length_b   7.950
_cell_length_c   7.950
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   386.748
_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
  Th  Th0  1  0.750  0.390  0.640  1.0
  Th  Th1  1  0.250  0.110  0.860  1.0
  Th  Th2  1  0.110  0.860  0.250  1.0
  Th  Th3  1  0.390  0.640  0.750  1.0
  Th  Th4  1  0.640  0.750  0.390  1.0
  Th  Th5  1  0.860  0.250  0.110  1.0
  Sb  Sb6  1  0.170  0.500  0.000  1.0
  Sb  Sb7  1  0.330  0.330  0.330  1.0
  Sb  Sb8  1  0.000  0.170  0.500  1.0
  Sb  Sb9  1  0.500  0.000  0.170  1.0
  As  As10  1  0.849  0.849  0.849  1.0
  As  As11  1  0.651  0.500  0.000  1.0
  As  As12  1  0.000  0.651  0.500  1.0
  As  As13  1  0.500  0.000  0.651  1.0
[/CIF]
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