The material described by Th3GeSi crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a square co-planar geometry to two equivalent Ge(1) and two equivalent Si(1) atoms. In the second Th site, Th(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Si(1) atoms. In the third Th site, Th(3) is bonded in a 6-coordinate geometry to four equivalent Ge(1) and two equivalent Si(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), four equivalent Th(3), and one Ge(1) atom. Si(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(3), four equivalent Th(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Th3SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.163
_cell_length_b   7.924
_cell_length_c   7.924
_cell_angle_alpha   89.675
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.389
_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  0.000  0.500  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Th  Th2  1  0.500  0.177  0.677  1.0
  Th  Th3  1  0.500  0.823  0.323  1.0
  Th  Th4  1  0.500  0.317  0.183  1.0
  Th  Th5  1  0.500  0.683  0.817  1.0
  Si  Si6  1  0.000  0.887  0.613  1.0
  Si  Si7  1  0.000  0.113  0.387  1.0
  Ge  Ge8  1  0.000  0.618  0.118  1.0
  Ge  Ge9  1  0.000  0.382  0.882  1.0
[/CIF]
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The material described by Th3GeSi crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a square co-planar geometry to two equivalent Ge(1) and two equivalent Si(1) atoms. In the second Th site, Th(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Si(1) atoms. In the third Th site, Th(3) is bonded in a 6-coordinate geometry to four equivalent Ge(1) and two equivalent Si(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), four equivalent Th(3), and one Ge(1) atom. Si(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(3), four equivalent Th(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Th3SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.163
_cell_length_b   7.924
_cell_length_c   7.924
_cell_angle_alpha   89.675
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.389
_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  0.000  0.500  0.500  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Th  Th2  1  0.500  0.177  0.677  1.0
  Th  Th3  1  0.500  0.823  0.323  1.0
  Th  Th4  1  0.500  0.317  0.183  1.0
  Th  Th5  1  0.500  0.683  0.817  1.0
  Si  Si6  1  0.000  0.887  0.613  1.0
  Si  Si7  1  0.000  0.113  0.387  1.0
  Ge  Ge8  1  0.000  0.618  0.118  1.0
  Ge  Ge9  1  0.000  0.382  0.882  1.0
[/CIF]
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