The material structure described by Th(Re2Si)2 crystallizes in the orthorhombic Pnnm space group. Th(1) is bonded in a 17-coordinate geometry to two equivalent Re(1), two equivalent Re(3), three equivalent Re(2), three equivalent Re(4), three equivalent Si(2), and four equivalent Si(1) atoms. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Th(1), one Re(1), one Re(4), two equivalent Re(2), four equivalent Re(3), and two equivalent Si(1) atoms. In the second Re site, Re(2) is bonded in a 13-coordinate geometry to three equivalent Th(1), one Re(3), two equivalent Re(1), three equivalent Re(4), one Si(1), and three equivalent Si(2) atoms. In the third Re site, Re(3) is bonded in a 13-coordinate geometry to two equivalent Th(1), one Re(2), one Re(3), two equivalent Re(4), four equivalent Re(1), one Si(2), and two equivalent Si(1) atoms. In the fourth Re site, Re(4) is bonded to three equivalent Th(1), one Re(1), two equivalent Re(3), three equivalent Re(2), and three equivalent Si(2) atoms to form distorted face-sharing ReTh3Re6Si3 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Re(2), two equivalent Re(1), two equivalent Re(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), one Re(3), three equivalent Re(2), and three equivalent Re(4) atoms. is represented by the CIF card [CIF]
data_Th(Re2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.170
_cell_length_b   7.211
_cell_length_c   15.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.721
_cell_formula_units_Z   4
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  0.589  0.117  1.0
  Th  Th1  1  0.000  0.411  0.883  1.0
  Th  Th2  1  0.500  0.089  0.383  1.0
  Th  Th3  1  0.500  0.911  0.617  1.0
  Re  Re4  1  0.000  0.142  0.051  1.0
  Re  Re5  1  0.000  0.858  0.948  1.0
  Re  Re6  1  0.500  0.642  0.449  1.0
  Re  Re7  1  0.500  0.358  0.552  1.0
  Re  Re8  1  0.000  0.739  0.321  1.0
  Re  Re9  1  0.000  0.261  0.679  1.0
  Re  Re10  1  0.500  0.239  0.179  1.0
  Re  Re11  1  0.500  0.761  0.821  1.0
  Re  Re12  1  0.000  0.431  0.420  1.0
  Re  Re13  1  0.000  0.569  0.580  1.0
  Re  Re14  1  0.500  0.931  0.080  1.0
  Re  Re15  1  0.500  0.069  0.920  1.0
  Re  Re16  1  0.000  1.000  0.206  1.0
  Re  Re17  1  0.000  0.000  0.794  1.0
  Re  Re18  1  0.500  0.500  0.294  1.0
  Re  Re19  1  0.500  0.500  0.706  1.0
  Si  Si20  1  0.000  0.826  0.474  1.0
  Si  Si21  1  0.000  0.174  0.526  1.0
  Si  Si22  1  0.500  0.326  0.026  1.0
  Si  Si23  1  0.500  0.674  0.974  1.0
  Si  Si24  1  0.000  0.307  0.273  1.0
  Si  Si25  1  0.000  0.693  0.727  1.0
  Si  Si26  1  0.500  0.807  0.227  1.0
  Si  Si27  1  0.500  0.193  0.773  1.0
[/CIF]
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The material structure described by Th(Re2Si)2 crystallizes in the orthorhombic Pnnm space group. Th(1) is bonded in a 17-coordinate geometry to two equivalent Re(1), two equivalent Re(3), three equivalent Re(2), three equivalent Re(4), three equivalent Si(2), and four equivalent Si(1) atoms. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Th(1), one Re(1), one Re(4), two equivalent Re(2), four equivalent Re(3), and two equivalent Si(1) atoms. In the second Re site, Re(2) is bonded in a 13-coordinate geometry to three equivalent Th(1), one Re(3), two equivalent Re(1), three equivalent Re(4), one Si(1), and three equivalent Si(2) atoms. In the third Re site, Re(3) is bonded in a 13-coordinate geometry to two equivalent Th(1), one Re(2), one Re(3), two equivalent Re(4), four equivalent Re(1), one Si(2), and two equivalent Si(1) atoms. In the fourth Re site, Re(4) is bonded to three equivalent Th(1), one Re(1), two equivalent Re(3), three equivalent Re(2), and three equivalent Si(2) atoms to form distorted face-sharing ReTh3Re6Si3 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Re(2), two equivalent Re(1), two equivalent Re(3), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), one Re(3), three equivalent Re(2), and three equivalent Re(4) atoms. is represented by the CIF card [CIF]
data_Th(Re2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.170
_cell_length_b   7.211
_cell_length_c   15.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.721
_cell_formula_units_Z   4
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  0.589  0.117  1.0
  Th  Th1  1  0.000  0.411  0.883  1.0
  Th  Th2  1  0.500  0.089  0.383  1.0
  Th  Th3  1  0.500  0.911  0.617  1.0
  Re  Re4  1  0.000  0.142  0.051  1.0
  Re  Re5  1  0.000  0.858  0.948  1.0
  Re  Re6  1  0.500  0.642  0.449  1.0
  Re  Re7  1  0.500  0.358  0.552  1.0
  Re  Re8  1  0.000  0.739  0.321  1.0
  Re  Re9  1  0.000  0.261  0.679  1.0
  Re  Re10  1  0.500  0.239  0.179  1.0
  Re  Re11  1  0.500  0.761  0.821  1.0
  Re  Re12  1  0.000  0.431  0.420  1.0
  Re  Re13  1  0.000  0.569  0.580  1.0
  Re  Re14  1  0.500  0.931  0.080  1.0
  Re  Re15  1  0.500  0.069  0.920  1.0
  Re  Re16  1  0.000  1.000  0.206  1.0
  Re  Re17  1  0.000  0.000  0.794  1.0
  Re  Re18  1  0.500  0.500  0.294  1.0
  Re  Re19  1  0.500  0.500  0.706  1.0
  Si  Si20  1  0.000  0.826  0.474  1.0
  Si  Si21  1  0.000  0.174  0.526  1.0
  Si  Si22  1  0.500  0.326  0.026  1.0
  Si  Si23  1  0.500  0.674  0.974  1.0
  Si  Si24  1  0.000  0.307  0.273  1.0
  Si  Si25  1  0.000  0.693  0.727  1.0
  Si  Si26  1  0.500  0.807  0.227  1.0
  Si  Si27  1  0.500  0.193  0.773  1.0
[/CIF]
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