The crystal structure described by CsGaH4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), and six equivalent H(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   8.112
_cell_length_c   10.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.934
_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  0.250  0.336  0.685  1.0
  Cs  Cs1  1  0.250  0.164  0.185  1.0
  Cs  Cs2  1  0.750  0.664  0.315  1.0
  Cs  Cs3  1  0.750  0.836  0.815  1.0
  Ga  Ga4  1  0.250  0.696  0.060  1.0
  Ga  Ga5  1  0.250  0.804  0.560  1.0
  Ga  Ga6  1  0.750  0.304  0.940  1.0
  Ga  Ga7  1  0.750  0.196  0.440  1.0
  H  H8  1  0.250  0.621  0.916  1.0
  H  H9  1  0.250  0.879  0.416  1.0
  H  H10  1  0.750  0.379  0.084  1.0
  H  H11  1  0.750  0.121  0.584  1.0
  H  H12  1  0.250  0.558  0.171  1.0
  H  H13  1  0.250  0.942  0.671  1.0
  H  H14  1  0.750  0.442  0.829  1.0
  H  H15  1  0.750  0.058  0.329  1.0
  H  H16  1  0.962  0.189  0.921  1.0
  H  H17  1  0.538  0.311  0.421  1.0
  H  H18  1  0.462  0.811  0.079  1.0
  H  H19  1  0.038  0.689  0.579  1.0
  H  H20  1  0.038  0.811  0.079  1.0
  H  H21  1  0.462  0.689  0.579  1.0
  H  H22  1  0.538  0.189  0.921  1.0
  H  H23  1  0.962  0.311  0.421  1.0
[/CIF]
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The crystal structure described by CsGaH4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), and six equivalent H(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   8.112
_cell_length_c   10.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.934
_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  0.250  0.336  0.685  1.0
  Cs  Cs1  1  0.250  0.164  0.185  1.0
  Cs  Cs2  1  0.750  0.664  0.315  1.0
  Cs  Cs3  1  0.750  0.836  0.815  1.0
  Ga  Ga4  1  0.250  0.696  0.060  1.0
  Ga  Ga5  1  0.250  0.804  0.560  1.0
  Ga  Ga6  1  0.750  0.304  0.940  1.0
  Ga  Ga7  1  0.750  0.196  0.440  1.0
  H  H8  1  0.250  0.621  0.916  1.0
  H  H9  1  0.250  0.879  0.416  1.0
  H  H10  1  0.750  0.379  0.084  1.0
  H  H11  1  0.750  0.121  0.584  1.0
  H  H12  1  0.250  0.558  0.171  1.0
  H  H13  1  0.250  0.942  0.671  1.0
  H  H14  1  0.750  0.442  0.829  1.0
  H  H15  1  0.750  0.058  0.329  1.0
  H  H16  1  0.962  0.189  0.921  1.0
  H  H17  1  0.538  0.311  0.421  1.0
  H  H18  1  0.462  0.811  0.079  1.0
  H  H19  1  0.038  0.689  0.579  1.0
  H  H20  1  0.038  0.811  0.079  1.0
  H  H21  1  0.462  0.689  0.579  1.0
  H  H22  1  0.538  0.189  0.921  1.0
  H  H23  1  0.962  0.311  0.421  1.0
[/CIF]
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