The compound described by BaGaH5 crystallizes in the orthorhombic Pmn2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one H(3), two equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(3), and two equivalent H(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Ga(1) atom. In the fourth H site, H(4) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. is represented by the CIF card [CIF]
data_BaGaH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.586
_cell_length_b   5.011
_cell_length_c   8.666
_cell_angle_alpha   90.005
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.130
_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
  Ba  Ba0  1  0.259  0.750  0.663  1.0
  Ba  Ba1  1  0.759  0.250  0.337  1.0
  Ga  Ga2  1  0.670  0.250  0.858  1.0
  Ga  Ga3  1  0.170  0.750  0.142  1.0
  H  H4  1  0.325  0.250  0.840  1.0
  H  H5  1  0.825  0.750  0.160  1.0
  H  H6  1  0.775  0.994  0.764  1.0
  H  H7  1  0.275  0.006  0.236  1.0
  H  H8  1  0.775  0.507  0.765  1.0
  H  H9  1  0.275  0.493  0.235  1.0
  H  H10  1  0.784  0.250  0.028  1.0
  H  H11  1  0.284  0.750  0.972  1.0
  H  H12  1  0.264  0.250  0.516  1.0
  H  H13  1  0.764  0.750  0.484  1.0
[/CIF]
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The compound described by BaGaH5 crystallizes in the orthorhombic Pmn2_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one H(3), two equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(3), and two equivalent H(2) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one Ga(1) atom. In the fourth H site, H(4) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. is represented by the CIF card [CIF]
data_BaGaH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.586
_cell_length_b   5.011
_cell_length_c   8.666
_cell_angle_alpha   90.005
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.130
_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
  Ba  Ba0  1  0.259  0.750  0.663  1.0
  Ba  Ba1  1  0.759  0.250  0.337  1.0
  Ga  Ga2  1  0.670  0.250  0.858  1.0
  Ga  Ga3  1  0.170  0.750  0.142  1.0
  H  H4  1  0.325  0.250  0.840  1.0
  H  H5  1  0.825  0.750  0.160  1.0
  H  H6  1  0.775  0.994  0.764  1.0
  H  H7  1  0.275  0.006  0.236  1.0
  H  H8  1  0.775  0.507  0.765  1.0
  H  H9  1  0.275  0.493  0.235  1.0
  H  H10  1  0.784  0.250  0.028  1.0
  H  H11  1  0.284  0.750  0.972  1.0
  H  H12  1  0.264  0.250  0.516  1.0
  H  H13  1  0.764  0.750  0.484  1.0
[/CIF]
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