The compound described by Ba3Ir2H12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form BaH6 octahedra that share edges with two equivalent Ir(1)Ba2H5 pentagonal bipyramids. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to two equivalent Ir(1), one H(2), and two equivalent H(1) atoms. Ir(1) is bonded to two equivalent Ba(2), one H(4), two equivalent H(1), and two equivalent H(3) atoms to form IrBa2H5 pentagonal bipyramids that share corners with two equivalent Ir(1)Ba2H5 pentagonal bipyramids and  an edgeedge with one Ba(1)H6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ir(1) atom. In the second H site, H(2) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Ir(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one Ir(1) atom. is represented by the CIF card [CIF]
data_Ba3(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   8.067
_cell_length_c   5.304
_cell_angle_alpha   90.000
_cell_angle_beta   83.592
_cell_angle_gamma   121.270
_symmetry_Int_Tables_number   1
_cell_volume   281.789
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.574  0.287  0.289  1.0
  Ba  Ba2  1  0.426  0.713  0.711  1.0
  H  H3  1  0.613  0.674  0.195  1.0
  H  H4  1  0.613  0.939  0.195  1.0
  H  H5  1  0.192  0.096  0.390  1.0
  H  H6  1  0.387  0.326  0.805  1.0
  H  H7  1  0.387  0.061  0.805  1.0
  H  H8  1  0.808  0.904  0.610  1.0
  H  H9  1  0.681  0.153  0.771  1.0
  H  H10  1  0.681  0.528  0.771  1.0
  H  H11  1  0.829  0.414  0.767  1.0
  H  H12  1  0.319  0.847  0.229  1.0
  H  H13  1  0.319  0.472  0.229  1.0
  H  H14  1  0.171  0.586  0.233  1.0
  Ir  Ir15  1  0.581  0.291  0.787  1.0
  Ir  Ir16  1  0.419  0.709  0.213  1.0
[/CIF]
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The compound described by Ba3Ir2H12 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form BaH6 octahedra that share edges with two equivalent Ir(1)Ba2H5 pentagonal bipyramids. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to two equivalent Ir(1), one H(2), and two equivalent H(1) atoms. Ir(1) is bonded to two equivalent Ba(2), one H(4), two equivalent H(1), and two equivalent H(3) atoms to form IrBa2H5 pentagonal bipyramids that share corners with two equivalent Ir(1)Ba2H5 pentagonal bipyramids and  an edgeedge with one Ba(1)H6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ir(1) atom. In the second H site, H(2) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one Ir(1) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one Ir(1) atom. is represented by the CIF card [CIF]
data_Ba3(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   8.067
_cell_length_c   5.304
_cell_angle_alpha   90.000
_cell_angle_beta   83.592
_cell_angle_gamma   121.270
_symmetry_Int_Tables_number   1
_cell_volume   281.789
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.574  0.287  0.289  1.0
  Ba  Ba2  1  0.426  0.713  0.711  1.0
  H  H3  1  0.613  0.674  0.195  1.0
  H  H4  1  0.613  0.939  0.195  1.0
  H  H5  1  0.192  0.096  0.390  1.0
  H  H6  1  0.387  0.326  0.805  1.0
  H  H7  1  0.387  0.061  0.805  1.0
  H  H8  1  0.808  0.904  0.610  1.0
  H  H9  1  0.681  0.153  0.771  1.0
  H  H10  1  0.681  0.528  0.771  1.0
  H  H11  1  0.829  0.414  0.767  1.0
  H  H12  1  0.319  0.847  0.229  1.0
  H  H13  1  0.319  0.472  0.229  1.0
  H  H14  1  0.171  0.586  0.233  1.0
  Ir  Ir15  1  0.581  0.291  0.787  1.0
  Ir  Ir16  1  0.419  0.709  0.213  1.0
[/CIF]
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