The material structure described by LiGaH4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form LiH6 pentagonal pyramids that share corners with four equivalent Ga(1)H4 tetrahedra, edges with two equivalent Li(1)H6 pentagonal pyramids, and  an edgeedge with one Ga(1)H4 tetrahedra. Ga(1) is bonded to two equivalent H(1) and two equivalent H(2) atoms to form GaH4 tetrahedra that share corners with four equivalent Li(1)H6 pentagonal pyramids and  an edgeedge with one Li(1)H6 pentagonal pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_LiGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   4.725
_cell_length_c   6.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.324
_symmetry_Int_Tables_number   1
_cell_volume   135.544
_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
  Li  Li0  1  0.574  0.426  0.750  1.0
  Li  Li1  1  0.426  0.574  0.250  1.0
  Ga  Ga2  1  0.178  0.822  0.750  1.0
  Ga  Ga3  1  0.822  0.178  0.250  1.0
  H  H4  1  0.324  0.676  0.953  1.0
  H  H5  1  0.676  0.324  0.047  1.0
  H  H6  1  0.324  0.676  0.547  1.0
  H  H7  1  0.676  0.324  0.453  1.0
  H  H8  1  0.250  0.152  0.750  1.0
  H  H9  1  0.152  0.250  0.250  1.0
  H  H10  1  0.750  0.848  0.250  1.0
  H  H11  1  0.848  0.750  0.750  1.0
[/CIF]
.
The material structure described by LiGaH4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form LiH6 pentagonal pyramids that share corners with four equivalent Ga(1)H4 tetrahedra, edges with two equivalent Li(1)H6 pentagonal pyramids, and  an edgeedge with one Ga(1)H4 tetrahedra. Ga(1) is bonded to two equivalent H(1) and two equivalent H(2) atoms to form GaH4 tetrahedra that share corners with four equivalent Li(1)H6 pentagonal pyramids and  an edgeedge with one Li(1)H6 pentagonal pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a T-shaped geometry to two equivalent Li(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_LiGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   4.725
_cell_length_c   6.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   94.324
_symmetry_Int_Tables_number   1
_cell_volume   135.544
_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
  Li  Li0  1  0.574  0.426  0.750  1.0
  Li  Li1  1  0.426  0.574  0.250  1.0
  Ga  Ga2  1  0.178  0.822  0.750  1.0
  Ga  Ga3  1  0.822  0.178  0.250  1.0
  H  H4  1  0.324  0.676  0.953  1.0
  H  H5  1  0.676  0.324  0.047  1.0
  H  H6  1  0.324  0.676  0.547  1.0
  H  H7  1  0.676  0.324  0.453  1.0
  H  H8  1  0.250  0.152  0.750  1.0
  H  H9  1  0.152  0.250  0.250  1.0
  H  H10  1  0.750  0.848  0.250  1.0
  H  H11  1  0.848  0.750  0.750  1.0
[/CIF]
.