The crystal structure described by Th3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to eight equivalent Th(1) and four equivalent Cr(1) atoms to form distorted ThTh8Cr4 cuboctahedra that share corners with four equivalent Cr(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8Cr4 cuboctahedra, edges with six equivalent Cr(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8Cr4 cuboctahedra, faces with four equivalent Cr(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8Cr4 cuboctahedra. Cr(1) is bonded to twelve equivalent Th(1) atoms to form CrTh12 cuboctahedra that share corners with six equivalent Cr(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8Cr4 cuboctahedra, edges with eighteen equivalent Th(1)Th8Cr4 cuboctahedra, faces with eight equivalent Cr(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8Cr4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.926
_cell_length_b   6.926
_cell_length_c   5.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.684
_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  0.176  0.352  0.250  1.0
  Th  Th1  1  0.648  0.824  0.250  1.0
  Th  Th2  1  0.176  0.824  0.250  1.0
  Th  Th3  1  0.824  0.648  0.750  1.0
  Th  Th4  1  0.352  0.176  0.750  1.0
  Th  Th5  1  0.824  0.176  0.750  1.0
  Cr  Cr6  1  0.333  0.667  0.750  1.0
  Cr  Cr7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by Th3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to eight equivalent Th(1) and four equivalent Cr(1) atoms to form distorted ThTh8Cr4 cuboctahedra that share corners with four equivalent Cr(1)Th12 cuboctahedra, corners with fourteen equivalent Th(1)Th8Cr4 cuboctahedra, edges with six equivalent Cr(1)Th12 cuboctahedra, edges with twelve equivalent Th(1)Th8Cr4 cuboctahedra, faces with four equivalent Cr(1)Th12 cuboctahedra, and faces with sixteen equivalent Th(1)Th8Cr4 cuboctahedra. Cr(1) is bonded to twelve equivalent Th(1) atoms to form CrTh12 cuboctahedra that share corners with six equivalent Cr(1)Th12 cuboctahedra, corners with twelve equivalent Th(1)Th8Cr4 cuboctahedra, edges with eighteen equivalent Th(1)Th8Cr4 cuboctahedra, faces with eight equivalent Cr(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8Cr4 cuboctahedra. is represented by the CIF card [CIF]
data_Th3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.926
_cell_length_b   6.926
_cell_length_c   5.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.684
_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  0.176  0.352  0.250  1.0
  Th  Th1  1  0.648  0.824  0.250  1.0
  Th  Th2  1  0.176  0.824  0.250  1.0
  Th  Th3  1  0.824  0.648  0.750  1.0
  Th  Th4  1  0.352  0.176  0.750  1.0
  Th  Th5  1  0.824  0.176  0.750  1.0
  Cr  Cr6  1  0.333  0.667  0.750  1.0
  Cr  Cr7  1  0.667  0.333  0.250  1.0
[/CIF]
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