The material structure described by ThFe3Co2 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a distorted hexagonal planar geometry to twelve equivalent Fe(1) and six equivalent Co(1) atoms. Fe(1) is bonded to four equivalent Th(1), four equivalent Fe(1), and four equivalent Co(1) atoms to form FeTh4Fe4Co4 cuboctahedra that share corners with eight equivalent Co(1)Th3Fe6 cuboctahedra, corners with sixteen equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with eight equivalent Co(1)Th3Fe6 cuboctahedra, edges with ten equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with four equivalent Co(1)Th3Fe6 cuboctahedra, and faces with ten equivalent Fe(1)Th4Fe4Co4 cuboctahedra. Co(1) is bonded to three equivalent Th(1) and six equivalent Fe(1) atoms to form distorted CoTh3Fe6 cuboctahedra that share corners with twelve equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with fifteen equivalent Co(1)Th3Fe6 cuboctahedra, edges with twelve equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with five equivalent Co(1)Th3Fe6 cuboctahedra, and faces with six equivalent Fe(1)Th4Fe4Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThFe3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   4.899
_cell_length_c   4.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.665
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.333  0.667  0.000  1.0
[/CIF]
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The material structure described by ThFe3Co2 crystallizes in the hexagonal P6/mmm space group. Th(1) is bonded in a distorted hexagonal planar geometry to twelve equivalent Fe(1) and six equivalent Co(1) atoms. Fe(1) is bonded to four equivalent Th(1), four equivalent Fe(1), and four equivalent Co(1) atoms to form FeTh4Fe4Co4 cuboctahedra that share corners with eight equivalent Co(1)Th3Fe6 cuboctahedra, corners with sixteen equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with eight equivalent Co(1)Th3Fe6 cuboctahedra, edges with ten equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with four equivalent Co(1)Th3Fe6 cuboctahedra, and faces with ten equivalent Fe(1)Th4Fe4Co4 cuboctahedra. Co(1) is bonded to three equivalent Th(1) and six equivalent Fe(1) atoms to form distorted CoTh3Fe6 cuboctahedra that share corners with twelve equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with fifteen equivalent Co(1)Th3Fe6 cuboctahedra, edges with twelve equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with five equivalent Co(1)Th3Fe6 cuboctahedra, and faces with six equivalent Fe(1)Th4Fe4Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThFe3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.899
_cell_length_b   4.899
_cell_length_c   4.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.665
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.667  0.333  0.000  1.0
  Co  Co5  1  0.333  0.667  0.000  1.0
[/CIF]
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