The material structure described by Th2Al7 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent Al(1), four equivalent Al(2), and eight equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 10-coordinate geometry to four equivalent Th(1), one Al(1), two equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Th(1), two equivalent Al(2), and four equivalent Al(3) atoms. In the third Al site, Al(2) is bonded in a distorted q6 geometry to four equivalent Th(1), one Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2Al7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.537
_cell_length_b   5.853
_cell_length_c   11.452
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.162
_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  0.856  0.853  1.0
  Th  Th1  1  0.000  0.144  0.147  1.0
  Th  Th2  1  0.000  0.356  0.647  1.0
  Th  Th3  1  0.000  0.644  0.353  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.500  0.596  0.750  1.0
  Al  Al7  1  0.500  0.404  0.250  1.0
  Al  Al8  1  0.500  0.096  0.750  1.0
  Al  Al9  1  0.500  0.904  0.250  1.0
  Al  Al10  1  0.762  0.852  0.591  1.0
  Al  Al11  1  0.762  0.148  0.409  1.0
  Al  Al12  1  0.238  0.352  0.909  1.0
  Al  Al13  1  0.238  0.648  0.091  1.0
  Al  Al14  1  0.238  0.148  0.409  1.0
  Al  Al15  1  0.238  0.852  0.591  1.0
  Al  Al16  1  0.762  0.648  0.091  1.0
  Al  Al17  1  0.762  0.352  0.909  1.0
[/CIF]
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The material structure described by Th2Al7 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 14-coordinate geometry to two equivalent Al(1), four equivalent Al(2), and eight equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 10-coordinate geometry to four equivalent Th(1), one Al(1), two equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Th(1), two equivalent Al(2), and four equivalent Al(3) atoms. In the third Al site, Al(2) is bonded in a distorted q6 geometry to four equivalent Th(1), one Al(1), two equivalent Al(2), and four equivalent Al(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2Al7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.537
_cell_length_b   5.853
_cell_length_c   11.452
_cell_angle_alpha   90.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.162
_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  0.856  0.853  1.0
  Th  Th1  1  0.000  0.144  0.147  1.0
  Th  Th2  1  0.000  0.356  0.647  1.0
  Th  Th3  1  0.000  0.644  0.353  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.500  0.596  0.750  1.0
  Al  Al7  1  0.500  0.404  0.250  1.0
  Al  Al8  1  0.500  0.096  0.750  1.0
  Al  Al9  1  0.500  0.904  0.250  1.0
  Al  Al10  1  0.762  0.852  0.591  1.0
  Al  Al11  1  0.762  0.148  0.409  1.0
  Al  Al12  1  0.238  0.352  0.909  1.0
  Al  Al13  1  0.238  0.648  0.091  1.0
  Al  Al14  1  0.238  0.148  0.409  1.0
  Al  Al15  1  0.238  0.852  0.591  1.0
  Al  Al16  1  0.762  0.648  0.091  1.0
  Al  Al17  1  0.762  0.352  0.909  1.0
[/CIF]
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