The crystal structure described by CsAlH2 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded to six equivalent H(1) atoms to form edge-sharing CsH6 octahedra. Al(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent H(1) atoms. H(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAlH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   6.839
_cell_length_c   8.280
_cell_angle_alpha   114.394
_cell_angle_beta   114.394
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.365
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.625  0.875  0.250  1.0
  Cs  Cs1  1  0.625  0.375  0.250  1.0
  Cs  Cs2  1  0.625  0.375  0.750  1.0
  Cs  Cs3  1  0.125  0.375  0.750  1.0
  Al  Al4  1  0.125  0.375  0.250  1.0
  Al  Al5  1  0.125  0.875  0.250  1.0
  Al  Al6  1  0.125  0.875  0.750  1.0
  Al  Al7  1  0.625  0.875  0.750  1.0
  H  H8  1  0.310  0.160  0.311  1.0
  H  H9  1  0.001  0.152  0.311  1.0
  H  H10  1  0.402  0.060  0.811  1.0
  H  H11  1  0.940  0.590  0.189  1.0
  H  H12  1  0.410  0.751  0.811  1.0
  H  H13  1  0.249  0.598  0.189  1.0
  H  H14  1  0.848  0.690  0.689  1.0
  H  H15  1  0.840  0.999  0.689  1.0
[/CIF]
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The crystal structure described by CsAlH2 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded to six equivalent H(1) atoms to form edge-sharing CsH6 octahedra. Al(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent H(1) atoms. H(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAlH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   6.839
_cell_length_c   8.280
_cell_angle_alpha   114.394
_cell_angle_beta   114.394
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.365
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.625  0.875  0.250  1.0
  Cs  Cs1  1  0.625  0.375  0.250  1.0
  Cs  Cs2  1  0.625  0.375  0.750  1.0
  Cs  Cs3  1  0.125  0.375  0.750  1.0
  Al  Al4  1  0.125  0.375  0.250  1.0
  Al  Al5  1  0.125  0.875  0.250  1.0
  Al  Al6  1  0.125  0.875  0.750  1.0
  Al  Al7  1  0.625  0.875  0.750  1.0
  H  H8  1  0.310  0.160  0.311  1.0
  H  H9  1  0.001  0.152  0.311  1.0
  H  H10  1  0.402  0.060  0.811  1.0
  H  H11  1  0.940  0.590  0.189  1.0
  H  H12  1  0.410  0.751  0.811  1.0
  H  H13  1  0.249  0.598  0.189  1.0
  H  H14  1  0.848  0.690  0.689  1.0
  H  H15  1  0.840  0.999  0.689  1.0
[/CIF]
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