The material described by KAlH4 crystallizes in the tetragonal I4_1/a space group. K(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 single-bond geometry to two equivalent K(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   137.108
_cell_angle_beta   137.108
_cell_angle_gamma   62.272
_symmetry_Int_Tables_number   1
_cell_volume   178.320
_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
  K  K0  1  0.375  0.125  0.250  1.0
  K  K1  1  0.625  0.875  0.750  1.0
  Al  Al2  1  0.875  0.625  0.250  1.0
  Al  Al3  1  0.125  0.375  0.750  1.0
  H  H4  1  0.180  0.601  0.385  1.0
  H  H5  1  0.716  0.795  0.115  1.0
  H  H6  1  0.295  0.680  0.079  1.0
  H  H7  1  0.101  0.216  0.421  1.0
  H  H8  1  0.820  0.399  0.615  1.0
  H  H9  1  0.284  0.205  0.885  1.0
  H  H10  1  0.705  0.320  0.921  1.0
  H  H11  1  0.899  0.784  0.579  1.0
[/CIF]
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The material described by KAlH4 crystallizes in the tetragonal I4_1/a space group. K(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 single-bond geometry to two equivalent K(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   7.304
_cell_length_c   7.304
_cell_angle_alpha   137.108
_cell_angle_beta   137.108
_cell_angle_gamma   62.272
_symmetry_Int_Tables_number   1
_cell_volume   178.320
_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
  K  K0  1  0.375  0.125  0.250  1.0
  K  K1  1  0.625  0.875  0.750  1.0
  Al  Al2  1  0.875  0.625  0.250  1.0
  Al  Al3  1  0.125  0.375  0.750  1.0
  H  H4  1  0.180  0.601  0.385  1.0
  H  H5  1  0.716  0.795  0.115  1.0
  H  H6  1  0.295  0.680  0.079  1.0
  H  H7  1  0.101  0.216  0.421  1.0
  H  H8  1  0.820  0.399  0.615  1.0
  H  H9  1  0.284  0.205  0.885  1.0
  H  H10  1  0.705  0.320  0.921  1.0
  H  H11  1  0.899  0.784  0.579  1.0
[/CIF]
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