The crystal structure described by Na2AlH4O4Cl crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted NaCl2O4 octahedra that share corners with two equivalent Na(1)Cl2O4 octahedra, corners with four equivalent Al(1)O4 tetrahedra, and edges with four equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with eight equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Al(1), and one H(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2AlH4ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.594
_cell_length_b   7.594
_cell_length_c   5.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.233
_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
  Na  Na0  1  0.250  0.250  0.500  1.0
  Na  Na1  1  0.750  0.750  0.500  1.0
  Na  Na2  1  0.250  0.750  0.500  1.0
  Na  Na3  1  0.750  0.250  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.210  0.500  0.109  1.0
  H  H7  1  0.790  0.500  0.109  1.0
  H  H8  1  0.710  0.000  0.891  1.0
  H  H9  1  0.290  0.000  0.891  1.0
  H  H10  1  0.500  0.790  0.891  1.0
  H  H11  1  0.500  0.210  0.891  1.0
  H  H12  1  0.000  0.290  0.109  1.0
  H  H13  1  0.000  0.710  0.109  1.0
  Cl  Cl14  1  0.000  0.500  0.779  1.0
  Cl  Cl15  1  0.500  0.000  0.221  1.0
  O  O16  1  0.316  0.500  0.218  1.0
  O  O17  1  0.684  0.500  0.218  1.0
  O  O18  1  0.816  0.000  0.782  1.0
  O  O19  1  0.184  0.000  0.782  1.0
  O  O20  1  0.500  0.684  0.782  1.0
  O  O21  1  0.500  0.316  0.782  1.0
  O  O22  1  0.000  0.184  0.218  1.0
  O  O23  1  0.000  0.816  0.218  1.0
[/CIF]
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The crystal structure described by Na2AlH4O4Cl crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form distorted NaCl2O4 octahedra that share corners with two equivalent Na(1)Cl2O4 octahedra, corners with four equivalent Al(1)O4 tetrahedra, and edges with four equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with eight equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Al(1), and one H(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2AlH4ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.594
_cell_length_b   7.594
_cell_length_c   5.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.233
_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
  Na  Na0  1  0.250  0.250  0.500  1.0
  Na  Na1  1  0.750  0.750  0.500  1.0
  Na  Na2  1  0.250  0.750  0.500  1.0
  Na  Na3  1  0.750  0.250  0.500  1.0
  Al  Al4  1  0.500  0.500  0.000  1.0
  Al  Al5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.210  0.500  0.109  1.0
  H  H7  1  0.790  0.500  0.109  1.0
  H  H8  1  0.710  0.000  0.891  1.0
  H  H9  1  0.290  0.000  0.891  1.0
  H  H10  1  0.500  0.790  0.891  1.0
  H  H11  1  0.500  0.210  0.891  1.0
  H  H12  1  0.000  0.290  0.109  1.0
  H  H13  1  0.000  0.710  0.109  1.0
  Cl  Cl14  1  0.000  0.500  0.779  1.0
  Cl  Cl15  1  0.500  0.000  0.221  1.0
  O  O16  1  0.316  0.500  0.218  1.0
  O  O17  1  0.684  0.500  0.218  1.0
  O  O18  1  0.816  0.000  0.782  1.0
  O  O19  1  0.184  0.000  0.782  1.0
  O  O20  1  0.500  0.684  0.782  1.0
  O  O21  1  0.500  0.316  0.782  1.0
  O  O22  1  0.000  0.184  0.218  1.0
  O  O23  1  0.000  0.816  0.218  1.0
[/CIF]
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