The compound described by BaH4(CO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(5) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(6) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a water-like geometry to two equivalent Ba(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ba(1) and one C(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one C(2) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Ba(1), one H(3), and one H(4) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH4(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.169
_cell_length_b   7.188
_cell_length_c   7.562
_cell_angle_alpha   75.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.469
_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
  Ba  Ba0  1  0.010  0.792  0.802  1.0
  Ba  Ba1  1  0.510  0.708  0.198  1.0
  Ba  Ba2  1  0.490  0.292  0.802  1.0
  Ba  Ba3  1  0.990  0.208  0.198  1.0
  H  H4  1  0.473  0.224  0.364  1.0
  H  H5  1  0.527  0.776  0.636  1.0
  H  H6  1  0.393  0.740  0.596  1.0
  H  H7  1  0.027  0.724  0.364  1.0
  H  H8  1  0.893  0.760  0.404  1.0
  H  H9  1  0.607  0.260  0.404  1.0
  H  H10  1  0.246  0.963  0.541  1.0
  H  H11  1  0.746  0.537  0.459  1.0
  H  H12  1  0.107  0.240  0.596  1.0
  H  H13  1  0.973  0.276  0.636  1.0
  H  H14  1  0.215  0.403  0.752  1.0
  H  H15  1  0.254  0.463  0.541  1.0
  H  H16  1  0.285  0.903  0.752  1.0
  H  H17  1  0.785  0.597  0.248  1.0
  H  H18  1  0.754  0.037  0.459  1.0
  H  H19  1  0.715  0.097  0.248  1.0
  C  C20  1  0.753  0.492  0.959  1.0
  C  C21  1  0.299  0.072  0.213  1.0
  C  C22  1  0.747  0.992  0.959  1.0
  C  C23  1  0.253  0.008  0.041  1.0
  C  C24  1  0.201  0.572  0.213  1.0
  C  C25  1  0.799  0.428  0.787  1.0
  C  C26  1  0.247  0.508  0.041  1.0
  C  C27  1  0.701  0.928  0.787  1.0
  O  O28  1  0.748  0.148  0.349  1.0
  O  O29  1  0.752  0.648  0.349  1.0
  O  O30  1  0.358  0.502  0.015  1.0
  O  O31  1  0.858  0.998  0.985  1.0
  O  O32  1  0.642  0.498  0.985  1.0
  O  O33  1  0.024  0.193  0.581  1.0
  O  O34  1  0.411  0.071  0.235  1.0
  O  O35  1  0.165  0.464  0.941  1.0
  O  O36  1  0.279  0.617  0.316  1.0
  O  O37  1  0.142  0.002  0.015  1.0
  O  O38  1  0.721  0.383  0.684  1.0
  O  O39  1  0.835  0.536  0.059  1.0
  O  O40  1  0.779  0.883  0.684  1.0
  O  O41  1  0.976  0.807  0.419  1.0
  O  O42  1  0.476  0.693  0.581  1.0
  O  O43  1  0.252  0.852  0.651  1.0
  O  O44  1  0.524  0.307  0.419  1.0
  O  O45  1  0.911  0.429  0.765  1.0
  O  O46  1  0.665  0.036  0.059  1.0
  O  O47  1  0.089  0.571  0.235  1.0
  O  O48  1  0.221  0.117  0.316  1.0
  O  O49  1  0.589  0.929  0.765  1.0
  O  O50  1  0.335  0.964  0.941  1.0
  O  O51  1  0.248  0.352  0.651  1.0
[/CIF]
.
The compound described by BaH4(CO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(5) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(6) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a water-like geometry to two equivalent Ba(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ba(1) and one C(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one C(2) atom. In the fifth O site, O(1) is bonded in a water-like geometry to one Ba(1), one H(3), and one H(4) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH4(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.169
_cell_length_b   7.188
_cell_length_c   7.562
_cell_angle_alpha   75.028
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.469
_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
  Ba  Ba0  1  0.010  0.792  0.802  1.0
  Ba  Ba1  1  0.510  0.708  0.198  1.0
  Ba  Ba2  1  0.490  0.292  0.802  1.0
  Ba  Ba3  1  0.990  0.208  0.198  1.0
  H  H4  1  0.473  0.224  0.364  1.0
  H  H5  1  0.527  0.776  0.636  1.0
  H  H6  1  0.393  0.740  0.596  1.0
  H  H7  1  0.027  0.724  0.364  1.0
  H  H8  1  0.893  0.760  0.404  1.0
  H  H9  1  0.607  0.260  0.404  1.0
  H  H10  1  0.246  0.963  0.541  1.0
  H  H11  1  0.746  0.537  0.459  1.0
  H  H12  1  0.107  0.240  0.596  1.0
  H  H13  1  0.973  0.276  0.636  1.0
  H  H14  1  0.215  0.403  0.752  1.0
  H  H15  1  0.254  0.463  0.541  1.0
  H  H16  1  0.285  0.903  0.752  1.0
  H  H17  1  0.785  0.597  0.248  1.0
  H  H18  1  0.754  0.037  0.459  1.0
  H  H19  1  0.715  0.097  0.248  1.0
  C  C20  1  0.753  0.492  0.959  1.0
  C  C21  1  0.299  0.072  0.213  1.0
  C  C22  1  0.747  0.992  0.959  1.0
  C  C23  1  0.253  0.008  0.041  1.0
  C  C24  1  0.201  0.572  0.213  1.0
  C  C25  1  0.799  0.428  0.787  1.0
  C  C26  1  0.247  0.508  0.041  1.0
  C  C27  1  0.701  0.928  0.787  1.0
  O  O28  1  0.748  0.148  0.349  1.0
  O  O29  1  0.752  0.648  0.349  1.0
  O  O30  1  0.358  0.502  0.015  1.0
  O  O31  1  0.858  0.998  0.985  1.0
  O  O32  1  0.642  0.498  0.985  1.0
  O  O33  1  0.024  0.193  0.581  1.0
  O  O34  1  0.411  0.071  0.235  1.0
  O  O35  1  0.165  0.464  0.941  1.0
  O  O36  1  0.279  0.617  0.316  1.0
  O  O37  1  0.142  0.002  0.015  1.0
  O  O38  1  0.721  0.383  0.684  1.0
  O  O39  1  0.835  0.536  0.059  1.0
  O  O40  1  0.779  0.883  0.684  1.0
  O  O41  1  0.976  0.807  0.419  1.0
  O  O42  1  0.476  0.693  0.581  1.0
  O  O43  1  0.252  0.852  0.651  1.0
  O  O44  1  0.524  0.307  0.419  1.0
  O  O45  1  0.911  0.429  0.765  1.0
  O  O46  1  0.665  0.036  0.059  1.0
  O  O47  1  0.089  0.571  0.235  1.0
  O  O48  1  0.221  0.117  0.316  1.0
  O  O49  1  0.589  0.929  0.765  1.0
  O  O50  1  0.335  0.964  0.941  1.0
  O  O51  1  0.248  0.352  0.651  1.0
[/CIF]
.