The structure described by ThZn11 crystallizes in the orthorhombic Pmmm space group. Th(1) is bonded in a 18-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(4), and eight equivalent Zn(5) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Th(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(6), and four equivalent Zn(5) atoms to form ZnThZn11 cuboctahedra that share corners with five equivalent Zn(1)ThZn11 cuboctahedra, edges with two equivalent Zn(1)ThZn11 cuboctahedra, faces with three equivalent Zn(1)ThZn11 cuboctahedra, and faces with four equivalent Zn(4)Th4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Th(1), one Zn(6), two equivalent Zn(1), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent Zn(5) atoms. In the fourth Zn site, Zn(4) is bonded to four equivalent Th(1), four equivalent Zn(2), and four equivalent Zn(5) atoms to form ZnTh4Zn8 cuboctahedra that share corners with four equivalent Zn(4)Th4Zn8 cuboctahedra, edges with two equivalent Zn(4)Th4Zn8 cuboctahedra, faces with two equivalent Zn(4)Th4Zn8 cuboctahedra, and faces with eight equivalent Zn(1)ThZn11 cuboctahedra. In the fifth Zn site, Zn(5) is bonded in a 10-coordinate geometry to two equivalent Th(1), one Zn(3), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(5) atoms. In the sixth Zn site, Zn(6) is bonded in a hexagonal planar geometry to two equivalent Zn(2) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThZn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.376
_cell_length_b   5.121
_cell_length_c   9.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.510
_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  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.500  0.353  1.0
  Zn  Zn2  1  0.000  0.000  0.787  1.0
  Zn  Zn3  1  0.000  0.000  0.213  1.0
  Zn  Zn4  1  0.000  0.500  0.647  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.500  0.739  0.236  1.0
  Zn  Zn8  1  0.500  0.261  0.764  1.0
  Zn  Zn9  1  0.500  0.261  0.236  1.0
  Zn  Zn10  1  0.500  0.739  0.764  1.0
  Zn  Zn11  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by ThZn11 crystallizes in the orthorhombic Pmmm space group. Th(1) is bonded in a 18-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(4), and eight equivalent Zn(5) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Th(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(6), and four equivalent Zn(5) atoms to form ZnThZn11 cuboctahedra that share corners with five equivalent Zn(1)ThZn11 cuboctahedra, edges with two equivalent Zn(1)ThZn11 cuboctahedra, faces with three equivalent Zn(1)ThZn11 cuboctahedra, and faces with four equivalent Zn(4)Th4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Th(1), one Zn(6), two equivalent Zn(1), two equivalent Zn(4), and four equivalent Zn(5) atoms. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent Zn(5) atoms. In the fourth Zn site, Zn(4) is bonded to four equivalent Th(1), four equivalent Zn(2), and four equivalent Zn(5) atoms to form ZnTh4Zn8 cuboctahedra that share corners with four equivalent Zn(4)Th4Zn8 cuboctahedra, edges with two equivalent Zn(4)Th4Zn8 cuboctahedra, faces with two equivalent Zn(4)Th4Zn8 cuboctahedra, and faces with eight equivalent Zn(1)ThZn11 cuboctahedra. In the fifth Zn site, Zn(5) is bonded in a 10-coordinate geometry to two equivalent Th(1), one Zn(3), one Zn(4), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(5) atoms. In the sixth Zn site, Zn(6) is bonded in a hexagonal planar geometry to two equivalent Zn(2) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThZn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.376
_cell_length_b   5.121
_cell_length_c   9.303
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.510
_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  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.500  0.353  1.0
  Zn  Zn2  1  0.000  0.000  0.787  1.0
  Zn  Zn3  1  0.000  0.000  0.213  1.0
  Zn  Zn4  1  0.000  0.500  0.647  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.500  0.739  0.236  1.0
  Zn  Zn8  1  0.500  0.261  0.764  1.0
  Zn  Zn9  1  0.500  0.261  0.236  1.0
  Zn  Zn10  1  0.500  0.739  0.764  1.0
  Zn  Zn11  1  0.000  0.000  0.500  1.0
[/CIF]
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