The material described by Th2AlH4 crystallizes in the tetragonal I4/mcm space group. Th(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and eight equivalent H(1) atoms. Al(1) is bonded in a 8-coordinate geometry to eight equivalent Th(1) atoms. H(1) is bonded to four equivalent Th(1) atoms to form a mixture of edge, face, and corner-sharing HTh4 tetrahedra. is represented by the CIF card [CIF]
data_Th2AlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.306
_cell_length_b   6.306
_cell_length_c   6.306
_cell_angle_alpha   105.474
_cell_angle_beta   105.474
_cell_angle_gamma   117.801
_symmetry_Int_Tables_number   1
_cell_volume   189.925
_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  0.836  0.664  0.500  1.0
  Th  Th1  1  0.664  0.164  0.829  1.0
  Th  Th2  1  0.164  0.336  0.500  1.0
  Th  Th3  1  0.336  0.836  0.171  1.0
  Al  Al4  1  0.750  0.750  0.000  1.0
  Al  Al5  1  0.250  0.250  0.000  1.0
  H  H6  1  0.221  0.981  0.500  1.0
  H  H7  1  0.481  0.721  0.500  1.0
  H  H8  1  0.721  0.221  0.240  1.0
  H  H9  1  0.981  0.481  0.760  1.0
  H  H10  1  0.279  0.779  0.760  1.0
  H  H11  1  0.519  0.279  0.500  1.0
  H  H12  1  0.019  0.519  0.240  1.0
  H  H13  1  0.779  0.019  0.500  1.0
[/CIF]
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The material described by Th2AlH4 crystallizes in the tetragonal I4/mcm space group. Th(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and eight equivalent H(1) atoms. Al(1) is bonded in a 8-coordinate geometry to eight equivalent Th(1) atoms. H(1) is bonded to four equivalent Th(1) atoms to form a mixture of edge, face, and corner-sharing HTh4 tetrahedra. is represented by the CIF card [CIF]
data_Th2AlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.306
_cell_length_b   6.306
_cell_length_c   6.306
_cell_angle_alpha   105.474
_cell_angle_beta   105.474
_cell_angle_gamma   117.801
_symmetry_Int_Tables_number   1
_cell_volume   189.925
_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  0.836  0.664  0.500  1.0
  Th  Th1  1  0.664  0.164  0.829  1.0
  Th  Th2  1  0.164  0.336  0.500  1.0
  Th  Th3  1  0.336  0.836  0.171  1.0
  Al  Al4  1  0.750  0.750  0.000  1.0
  Al  Al5  1  0.250  0.250  0.000  1.0
  H  H6  1  0.221  0.981  0.500  1.0
  H  H7  1  0.481  0.721  0.500  1.0
  H  H8  1  0.721  0.221  0.240  1.0
  H  H9  1  0.981  0.481  0.760  1.0
  H  H10  1  0.279  0.779  0.760  1.0
  H  H11  1  0.519  0.279  0.500  1.0
  H  H12  1  0.019  0.519  0.240  1.0
  H  H13  1  0.779  0.019  0.500  1.0
[/CIF]
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