The material structure described by SrAlH5 crystallizes in the orthorhombic P2_12_12_1 space group. Sr(1) is bonded to one H(5), two equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms to form distorted SrH12 cuboctahedra that share corners with four equivalent Sr(1)H12 cuboctahedra, corners with two equivalent Al(1)H6 octahedra, edges with four equivalent Sr(1)H12 cuboctahedra,  an edgeedge with one Al(1)H6 octahedra, faces with two equivalent Sr(1)H12 cuboctahedra, and faces with three equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Al(1) is bonded to one H(1), one H(2), one H(3), one H(4), and two equivalent H(5) atoms to form AlH6 octahedra that share corners with two equivalent Sr(1)H12 cuboctahedra, corners with two equivalent Al(1)H6 octahedra,  an edgeedge with one Sr(1)H12 cuboctahedra, and faces with three equivalent Sr(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Al(1) atom. In the second H site, H(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one Al(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Al(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Al(1) atom. In the fifth H site, H(5) is bonded in a 2-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAlH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   5.194
_cell_length_c   12.634
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.662
_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
  Sr  Sr0  1  0.287  0.146  0.658  1.0
  Sr  Sr1  1  0.787  0.354  0.342  1.0
  Sr  Sr2  1  0.213  0.854  0.158  1.0
  Sr  Sr3  1  0.713  0.646  0.842  1.0
  Al  Al4  1  0.321  0.133  0.916  1.0
  Al  Al5  1  0.821  0.367  0.084  1.0
  Al  Al6  1  0.179  0.867  0.416  1.0
  Al  Al7  1  0.679  0.633  0.584  1.0
  H  H8  1  0.527  0.395  0.512  1.0
  H  H9  1  0.027  0.105  0.488  1.0
  H  H10  1  0.973  0.605  0.012  1.0
  H  H11  1  0.473  0.895  0.988  1.0
  H  H12  1  0.171  0.911  0.830  1.0
  H  H13  1  0.671  0.589  0.170  1.0
  H  H14  1  0.329  0.089  0.330  1.0
  H  H15  1  0.829  0.411  0.670  1.0
  H  H16  1  0.193  0.385  0.842  1.0
  H  H17  1  0.693  0.115  0.158  1.0
  H  H18  1  0.307  0.615  0.342  1.0
  H  H19  1  0.807  0.885  0.658  1.0
  H  H20  1  0.624  0.136  0.830  1.0
  H  H21  1  0.124  0.364  0.170  1.0
  H  H22  1  0.876  0.864  0.330  1.0
  H  H23  1  0.376  0.636  0.670  1.0
  H  H24  1  0.017  0.135  0.004  1.0
  H  H25  1  0.517  0.365  0.996  1.0
  H  H26  1  0.483  0.865  0.504  1.0
  H  H27  1  0.983  0.635  0.496  1.0
[/CIF]
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The material structure described by SrAlH5 crystallizes in the orthorhombic P2_12_12_1 space group. Sr(1) is bonded to one H(5), two equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms to form distorted SrH12 cuboctahedra that share corners with four equivalent Sr(1)H12 cuboctahedra, corners with two equivalent Al(1)H6 octahedra, edges with four equivalent Sr(1)H12 cuboctahedra,  an edgeedge with one Al(1)H6 octahedra, faces with two equivalent Sr(1)H12 cuboctahedra, and faces with three equivalent Al(1)H6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Al(1) is bonded to one H(1), one H(2), one H(3), one H(4), and two equivalent H(5) atoms to form AlH6 octahedra that share corners with two equivalent Sr(1)H12 cuboctahedra, corners with two equivalent Al(1)H6 octahedra,  an edgeedge with one Sr(1)H12 cuboctahedra, and faces with three equivalent Sr(1)H12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one Al(1) atom. In the second H site, H(2) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one Al(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Al(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Al(1) atom. In the fifth H site, H(5) is bonded in a 2-coordinate geometry to one Sr(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrAlH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   5.194
_cell_length_c   12.634
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.662
_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
  Sr  Sr0  1  0.287  0.146  0.658  1.0
  Sr  Sr1  1  0.787  0.354  0.342  1.0
  Sr  Sr2  1  0.213  0.854  0.158  1.0
  Sr  Sr3  1  0.713  0.646  0.842  1.0
  Al  Al4  1  0.321  0.133  0.916  1.0
  Al  Al5  1  0.821  0.367  0.084  1.0
  Al  Al6  1  0.179  0.867  0.416  1.0
  Al  Al7  1  0.679  0.633  0.584  1.0
  H  H8  1  0.527  0.395  0.512  1.0
  H  H9  1  0.027  0.105  0.488  1.0
  H  H10  1  0.973  0.605  0.012  1.0
  H  H11  1  0.473  0.895  0.988  1.0
  H  H12  1  0.171  0.911  0.830  1.0
  H  H13  1  0.671  0.589  0.170  1.0
  H  H14  1  0.329  0.089  0.330  1.0
  H  H15  1  0.829  0.411  0.670  1.0
  H  H16  1  0.193  0.385  0.842  1.0
  H  H17  1  0.693  0.115  0.158  1.0
  H  H18  1  0.307  0.615  0.342  1.0
  H  H19  1  0.807  0.885  0.658  1.0
  H  H20  1  0.624  0.136  0.830  1.0
  H  H21  1  0.124  0.364  0.170  1.0
  H  H22  1  0.876  0.864  0.330  1.0
  H  H23  1  0.376  0.636  0.670  1.0
  H  H24  1  0.017  0.135  0.004  1.0
  H  H25  1  0.517  0.365  0.996  1.0
  H  H26  1  0.483  0.865  0.504  1.0
  H  H27  1  0.983  0.635  0.496  1.0
[/CIF]
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