The material described by LiAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded in a 8-coordinate geometry to eight equivalent H(1) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent H(1) atoms. H(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_LiAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.047
_cell_length_c   6.047
_cell_angle_alpha   135.540
_cell_angle_beta   135.540
_cell_angle_gamma   64.692
_symmetry_Int_Tables_number   1
_cell_volume   106.971
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.750  0.250  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.580  0.508  0.420  1.0
  H  H5  1  0.088  0.160  0.580  1.0
  H  H6  1  0.910  0.830  0.573  1.0
  H  H7  1  0.258  0.338  0.427  1.0
  H  H8  1  0.170  0.742  0.080  1.0
  H  H9  1  0.662  0.090  0.920  1.0
  H  H10  1  0.840  0.420  0.927  1.0
  H  H11  1  0.492  0.912  0.073  1.0
[/CIF]
.
The material described by LiAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded in a 8-coordinate geometry to eight equivalent H(1) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent H(1) atoms. H(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_LiAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.047
_cell_length_c   6.047
_cell_angle_alpha   135.540
_cell_angle_beta   135.540
_cell_angle_gamma   64.692
_symmetry_Int_Tables_number   1
_cell_volume   106.971
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.750  0.250  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.580  0.508  0.420  1.0
  H  H5  1  0.088  0.160  0.580  1.0
  H  H6  1  0.910  0.830  0.573  1.0
  H  H7  1  0.258  0.338  0.427  1.0
  H  H8  1  0.170  0.742  0.080  1.0
  H  H9  1  0.662  0.090  0.920  1.0
  H  H10  1  0.840  0.420  0.927  1.0
  H  H11  1  0.492  0.912  0.073  1.0
[/CIF]
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