The material structure described by Ba(HCOO)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH2(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   7.706
_cell_length_c   9.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.212
_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  0.422  0.212  0.836  1.0
  Ba  Ba1  1  0.922  0.288  0.164  1.0
  Ba  Ba2  1  0.078  0.788  0.336  1.0
  Ba  Ba3  1  0.578  0.712  0.664  1.0
  H  H4  1  0.496  0.062  0.301  1.0
  H  H5  1  0.996  0.438  0.699  1.0
  H  H6  1  0.004  0.938  0.801  1.0
  H  H7  1  0.504  0.562  0.199  1.0
  H  H8  1  0.769  0.707  0.009  1.0
  H  H9  1  0.269  0.793  0.991  1.0
  H  H10  1  0.731  0.293  0.509  1.0
  H  H11  1  0.231  0.207  0.491  1.0
  C  C12  1  0.426  0.126  0.205  1.0
  C  C13  1  0.926  0.374  0.795  1.0
  C  C14  1  0.074  0.874  0.705  1.0
  C  C15  1  0.574  0.626  0.295  1.0
  C  C16  1  0.752  0.851  0.012  1.0
  C  C17  1  0.252  0.649  0.988  1.0
  C  C18  1  0.748  0.149  0.512  1.0
  C  C19  1  0.248  0.351  0.488  1.0
  O  O20  1  0.256  0.076  0.172  1.0
  O  O21  1  0.756  0.424  0.828  1.0
  O  O22  1  0.244  0.924  0.672  1.0
  O  O23  1  0.744  0.576  0.328  1.0
  O  O24  1  0.522  0.240  0.135  1.0
  O  O25  1  0.022  0.260  0.865  1.0
  O  O26  1  0.978  0.760  0.635  1.0
  O  O27  1  0.478  0.740  0.365  1.0
  O  O28  1  0.635  0.916  0.918  1.0
  O  O29  1  0.135  0.584  0.082  1.0
  O  O30  1  0.865  0.084  0.418  1.0
  O  O31  1  0.365  0.416  0.582  1.0
  O  O32  1  0.851  0.933  0.106  1.0
  O  O33  1  0.351  0.567  0.894  1.0
  O  O34  1  0.649  0.067  0.606  1.0
  O  O35  1  0.149  0.433  0.394  1.0
[/CIF]
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The material structure described by Ba(HCOO)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one C(2) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaH2(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   7.706
_cell_length_c   9.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.212
_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  0.422  0.212  0.836  1.0
  Ba  Ba1  1  0.922  0.288  0.164  1.0
  Ba  Ba2  1  0.078  0.788  0.336  1.0
  Ba  Ba3  1  0.578  0.712  0.664  1.0
  H  H4  1  0.496  0.062  0.301  1.0
  H  H5  1  0.996  0.438  0.699  1.0
  H  H6  1  0.004  0.938  0.801  1.0
  H  H7  1  0.504  0.562  0.199  1.0
  H  H8  1  0.769  0.707  0.009  1.0
  H  H9  1  0.269  0.793  0.991  1.0
  H  H10  1  0.731  0.293  0.509  1.0
  H  H11  1  0.231  0.207  0.491  1.0
  C  C12  1  0.426  0.126  0.205  1.0
  C  C13  1  0.926  0.374  0.795  1.0
  C  C14  1  0.074  0.874  0.705  1.0
  C  C15  1  0.574  0.626  0.295  1.0
  C  C16  1  0.752  0.851  0.012  1.0
  C  C17  1  0.252  0.649  0.988  1.0
  C  C18  1  0.748  0.149  0.512  1.0
  C  C19  1  0.248  0.351  0.488  1.0
  O  O20  1  0.256  0.076  0.172  1.0
  O  O21  1  0.756  0.424  0.828  1.0
  O  O22  1  0.244  0.924  0.672  1.0
  O  O23  1  0.744  0.576  0.328  1.0
  O  O24  1  0.522  0.240  0.135  1.0
  O  O25  1  0.022  0.260  0.865  1.0
  O  O26  1  0.978  0.760  0.635  1.0
  O  O27  1  0.478  0.740  0.365  1.0
  O  O28  1  0.635  0.916  0.918  1.0
  O  O29  1  0.135  0.584  0.082  1.0
  O  O30  1  0.865  0.084  0.418  1.0
  O  O31  1  0.365  0.416  0.582  1.0
  O  O32  1  0.851  0.933  0.106  1.0
  O  O33  1  0.351  0.567  0.894  1.0
  O  O34  1  0.649  0.067  0.606  1.0
  O  O35  1  0.149  0.433  0.394  1.0
[/CIF]
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