The material described by Th2(CoAs)3 crystallizes in the triclinic P1 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to one Co(1), three equivalent Co(2), and three equivalent As(2) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to one Co(2), three equivalent Co(1), and three equivalent As(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to one Th(1), three equivalent Th(2), three equivalent Co(2), and three equivalent As(3) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Th(2), three equivalent Th(1), three equivalent Co(1), and three equivalent As(3) atoms. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Th(2) and three equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing AsTh3Co3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent Th(1) and three equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing AsTh3Co3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Th2(CoAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.025
_cell_length_b   3.978
_cell_length_c   21.388
_cell_angle_alpha   89.923
_cell_angle_beta   40.615
_cell_angle_gamma   60.177
_symmetry_Int_Tables_number   1
_cell_volume   144.241
_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
  Th  Th0  1  0.349  0.580  0.776  1.0
  Th  Th1  1  0.654  0.418  0.224  1.0
  Co  Co2  1  0.842  0.330  0.060  1.0
  Co  Co3  1  0.150  0.675  0.940  1.0
  Co  Co4  1  0.500  0.499  0.500  1.0
  As  As5  1  0.310  0.593  0.412  1.0
  As  As6  1  0.692  0.406  0.588  1.0
  As  As7  1  0.503  0.499  0.999  1.0
[/CIF]
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The material described by Th2(CoAs)3 crystallizes in the triclinic P1 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to one Co(1), three equivalent Co(2), and three equivalent As(2) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to one Co(2), three equivalent Co(1), and three equivalent As(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to one Th(1), three equivalent Th(2), three equivalent Co(2), and three equivalent As(3) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Th(2), three equivalent Th(1), three equivalent Co(1), and three equivalent As(3) atoms. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Th(2) and three equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing AsTh3Co3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent Th(1) and three equivalent Co(3) atoms to form a mixture of distorted corner and edge-sharing AsTh3Co3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Th2(CoAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.025
_cell_length_b   3.978
_cell_length_c   21.388
_cell_angle_alpha   89.923
_cell_angle_beta   40.615
_cell_angle_gamma   60.177
_symmetry_Int_Tables_number   1
_cell_volume   144.241
_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
  Th  Th0  1  0.349  0.580  0.776  1.0
  Th  Th1  1  0.654  0.418  0.224  1.0
  Co  Co2  1  0.842  0.330  0.060  1.0
  Co  Co3  1  0.150  0.675  0.940  1.0
  Co  Co4  1  0.500  0.499  0.500  1.0
  As  As5  1  0.310  0.593  0.412  1.0
  As  As6  1  0.692  0.406  0.588  1.0
  As  As7  1  0.503  0.499  0.999  1.0
[/CIF]
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