The material structure described by RbAlH4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to one H(2), one H(3), and six equivalent H(1) atoms. Al(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Al(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Rb(1) and one Al(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Rb(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_RbAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.811
_cell_length_b   7.562
_cell_length_c   9.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.509
_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
  Rb  Rb0  1  0.250  0.660  0.181  1.0
  Rb  Rb1  1  0.750  0.340  0.819  1.0
  Rb  Rb2  1  0.750  0.160  0.319  1.0
  Rb  Rb3  1  0.250  0.840  0.681  1.0
  Al  Al4  1  0.250  0.186  0.062  1.0
  Al  Al5  1  0.750  0.814  0.938  1.0
  Al  Al6  1  0.750  0.686  0.438  1.0
  Al  Al7  1  0.250  0.314  0.562  1.0
  H  H8  1  0.024  0.312  0.080  1.0
  H  H9  1  0.976  0.688  0.920  1.0
  H  H10  1  0.976  0.812  0.420  1.0
  H  H11  1  0.524  0.688  0.920  1.0
  H  H12  1  0.024  0.188  0.580  1.0
  H  H13  1  0.476  0.312  0.080  1.0
  H  H14  1  0.476  0.188  0.580  1.0
  H  H15  1  0.524  0.812  0.420  1.0
  H  H16  1  0.250  0.040  0.189  1.0
  H  H17  1  0.750  0.960  0.811  1.0
  H  H18  1  0.750  0.540  0.311  1.0
  H  H19  1  0.250  0.460  0.689  1.0
  H  H20  1  0.250  0.399  0.403  1.0
  H  H21  1  0.750  0.601  0.597  1.0
  H  H22  1  0.750  0.899  0.097  1.0
  H  H23  1  0.250  0.101  0.903  1.0
[/CIF]
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The material structure described by RbAlH4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to one H(2), one H(3), and six equivalent H(1) atoms. Al(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Al(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Rb(1) and one Al(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Rb(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_RbAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.811
_cell_length_b   7.562
_cell_length_c   9.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.509
_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
  Rb  Rb0  1  0.250  0.660  0.181  1.0
  Rb  Rb1  1  0.750  0.340  0.819  1.0
  Rb  Rb2  1  0.750  0.160  0.319  1.0
  Rb  Rb3  1  0.250  0.840  0.681  1.0
  Al  Al4  1  0.250  0.186  0.062  1.0
  Al  Al5  1  0.750  0.814  0.938  1.0
  Al  Al6  1  0.750  0.686  0.438  1.0
  Al  Al7  1  0.250  0.314  0.562  1.0
  H  H8  1  0.024  0.312  0.080  1.0
  H  H9  1  0.976  0.688  0.920  1.0
  H  H10  1  0.976  0.812  0.420  1.0
  H  H11  1  0.524  0.688  0.920  1.0
  H  H12  1  0.024  0.188  0.580  1.0
  H  H13  1  0.476  0.312  0.080  1.0
  H  H14  1  0.476  0.188  0.580  1.0
  H  H15  1  0.524  0.812  0.420  1.0
  H  H16  1  0.250  0.040  0.189  1.0
  H  H17  1  0.750  0.960  0.811  1.0
  H  H18  1  0.750  0.540  0.311  1.0
  H  H19  1  0.250  0.460  0.689  1.0
  H  H20  1  0.250  0.399  0.403  1.0
  H  H21  1  0.750  0.601  0.597  1.0
  H  H22  1  0.750  0.899  0.097  1.0
  H  H23  1  0.250  0.101  0.903  1.0
[/CIF]
.