The material structure described by NaGaH4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_NaGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.694
_cell_length_b   4.694
_cell_length_c   7.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.831
_symmetry_Int_Tables_number   1
_cell_volume   154.489
_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  0.342  0.342  0.250  1.0
  Na  Na1  1  0.658  0.658  0.750  1.0
  Ga  Ga2  1  0.842  0.842  0.250  1.0
  Ga  Ga3  1  0.158  0.158  0.750  1.0
  H  H4  1  0.193  0.825  0.750  1.0
  H  H5  1  0.807  0.175  0.250  1.0
  H  H6  1  0.825  0.193  0.750  1.0
  H  H7  1  0.175  0.807  0.250  1.0
  H  H8  1  0.690  0.690  0.429  1.0
  H  H9  1  0.310  0.310  0.929  1.0
  H  H10  1  0.690  0.690  0.071  1.0
  H  H11  1  0.310  0.310  0.571  1.0
[/CIF]
.
The material structure described by NaGaH4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_NaGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.694
_cell_length_b   4.694
_cell_length_c   7.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.831
_symmetry_Int_Tables_number   1
_cell_volume   154.489
_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  0.342  0.342  0.250  1.0
  Na  Na1  1  0.658  0.658  0.750  1.0
  Ga  Ga2  1  0.842  0.842  0.250  1.0
  Ga  Ga3  1  0.158  0.158  0.750  1.0
  H  H4  1  0.193  0.825  0.750  1.0
  H  H5  1  0.807  0.175  0.250  1.0
  H  H6  1  0.825  0.193  0.750  1.0
  H  H7  1  0.175  0.807  0.250  1.0
  H  H8  1  0.690  0.690  0.429  1.0
  H  H9  1  0.310  0.310  0.929  1.0
  H  H10  1  0.690  0.690  0.071  1.0
  H  H11  1  0.310  0.310  0.571  1.0
[/CIF]
.