The compound described by Th6Mn23 crystallizes in the cubic Fm-3m space group. Th(1) is bonded in a 12-coordinate geometry to four equivalent Mn(2), four equivalent Mn(3), and four equivalent Mn(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(4) is bonded to three equivalent Th(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms to form distorted MnTh3Mn9 cuboctahedra that share corners with six equivalent Mn(4)Th3Mn9 cuboctahedra, corners with six equivalent Mn(2)Th4Mn8 cuboctahedra, faces with six equivalent Mn(4)Th3Mn9 cuboctahedra, and faces with six equivalent Mn(2)Th4Mn8 cuboctahedra. In the second Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(3) atoms. In the third Mn site, Mn(2) is bonded to four equivalent Th(1), four equivalent Mn(3), and four equivalent Mn(4) atoms to form MnTh4Mn8 cuboctahedra that share corners with four equivalent Mn(2)Th4Mn8 cuboctahedra, corners with eight equivalent Mn(4)Th3Mn9 cuboctahedra, faces with eight equivalent Mn(4)Th3Mn9 cuboctahedra, and faces with eight equivalent Mn(2)Th4Mn8 cuboctahedra. In the fourth Mn site, Mn(3) is bonded in a 13-coordinate geometry to three equivalent Th(1), one Mn(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Th6Mn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.596
_cell_length_c   8.596
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   449.103
_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  0.292  0.292  0.708  1.0
  Th  Th1  1  0.292  0.708  0.708  1.0
  Th  Th2  1  0.708  0.292  0.292  1.0
  Th  Th3  1  0.292  0.708  0.292  1.0
  Th  Th4  1  0.708  0.292  0.708  1.0
  Th  Th5  1  0.708  0.708  0.292  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.882  0.353  0.882  1.0
  Mn  Mn14  1  0.118  0.118  0.647  1.0
  Mn  Mn15  1  0.647  0.118  0.118  1.0
  Mn  Mn16  1  0.118  0.118  0.118  1.0
  Mn  Mn17  1  0.353  0.882  0.882  1.0
  Mn  Mn18  1  0.882  0.882  0.882  1.0
  Mn  Mn19  1  0.882  0.882  0.353  1.0
  Mn  Mn20  1  0.118  0.647  0.118  1.0
  Mn  Mn21  1  0.681  0.958  0.681  1.0
  Mn  Mn22  1  0.319  0.319  0.042  1.0
  Mn  Mn23  1  0.042  0.319  0.319  1.0
  Mn  Mn24  1  0.319  0.319  0.319  1.0
  Mn  Mn25  1  0.958  0.681  0.681  1.0
  Mn  Mn26  1  0.681  0.681  0.681  1.0
  Mn  Mn27  1  0.681  0.681  0.958  1.0
  Mn  Mn28  1  0.319  0.042  0.319  1.0
[/CIF]
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The compound described by Th6Mn23 crystallizes in the cubic Fm-3m space group. Th(1) is bonded in a 12-coordinate geometry to four equivalent Mn(2), four equivalent Mn(3), and four equivalent Mn(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(4) is bonded to three equivalent Th(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms to form distorted MnTh3Mn9 cuboctahedra that share corners with six equivalent Mn(4)Th3Mn9 cuboctahedra, corners with six equivalent Mn(2)Th4Mn8 cuboctahedra, faces with six equivalent Mn(4)Th3Mn9 cuboctahedra, and faces with six equivalent Mn(2)Th4Mn8 cuboctahedra. In the second Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(3) atoms. In the third Mn site, Mn(2) is bonded to four equivalent Th(1), four equivalent Mn(3), and four equivalent Mn(4) atoms to form MnTh4Mn8 cuboctahedra that share corners with four equivalent Mn(2)Th4Mn8 cuboctahedra, corners with eight equivalent Mn(4)Th3Mn9 cuboctahedra, faces with eight equivalent Mn(4)Th3Mn9 cuboctahedra, and faces with eight equivalent Mn(2)Th4Mn8 cuboctahedra. In the fourth Mn site, Mn(3) is bonded in a 13-coordinate geometry to three equivalent Th(1), one Mn(1), three equivalent Mn(2), three equivalent Mn(3), and three equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Th6Mn23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.596
_cell_length_c   8.596
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   449.103
_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  0.292  0.292  0.708  1.0
  Th  Th1  1  0.292  0.708  0.708  1.0
  Th  Th2  1  0.708  0.292  0.292  1.0
  Th  Th3  1  0.292  0.708  0.292  1.0
  Th  Th4  1  0.708  0.292  0.708  1.0
  Th  Th5  1  0.708  0.708  0.292  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.500  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.882  0.353  0.882  1.0
  Mn  Mn14  1  0.118  0.118  0.647  1.0
  Mn  Mn15  1  0.647  0.118  0.118  1.0
  Mn  Mn16  1  0.118  0.118  0.118  1.0
  Mn  Mn17  1  0.353  0.882  0.882  1.0
  Mn  Mn18  1  0.882  0.882  0.882  1.0
  Mn  Mn19  1  0.882  0.882  0.353  1.0
  Mn  Mn20  1  0.118  0.647  0.118  1.0
  Mn  Mn21  1  0.681  0.958  0.681  1.0
  Mn  Mn22  1  0.319  0.319  0.042  1.0
  Mn  Mn23  1  0.042  0.319  0.319  1.0
  Mn  Mn24  1  0.319  0.319  0.319  1.0
  Mn  Mn25  1  0.958  0.681  0.681  1.0
  Mn  Mn26  1  0.681  0.681  0.681  1.0
  Mn  Mn27  1  0.681  0.681  0.958  1.0
  Mn  Mn28  1  0.319  0.042  0.319  1.0
[/CIF]
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