The crystal structure described by Cs2BaH6(NO6)2 crystallizes in the orthorhombic Pnnm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Ba(1) is bonded in a distorted q6 geometry to two equivalent N(1), four equivalent O(2), and four equivalent O(3) atoms. N(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one H(1), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ba(1), and one O(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. In the third O site, O(2) is bonded to two equivalent Cs(1), one Ba(1), and one O(1) atom to form a mixture of distorted corner and edge-sharing OCs2BaO tetrahedra. is represented by the CIF file [CIF]
data_Cs2BaH6(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   8.293
_cell_length_c   13.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.667
_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
  Cs  Cs0  1  0.328  0.500  0.861  1.0
  Cs  Cs1  1  0.672  0.500  0.139  1.0
  Cs  Cs2  1  0.828  0.000  0.639  1.0
  Cs  Cs3  1  0.172  0.000  0.361  1.0
  Ba  Ba4  1  0.500  0.500  0.500  1.0
  Ba  Ba5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.165  0.500  0.309  1.0
  H  H7  1  0.835  0.500  0.691  1.0
  H  H8  1  0.665  0.000  0.191  1.0
  H  H9  1  0.335  0.000  0.809  1.0
  H  H10  1  0.022  0.401  0.390  1.0
  H  H11  1  0.978  0.401  0.610  1.0
  H  H12  1  0.522  0.099  0.110  1.0
  H  H13  1  0.478  0.099  0.890  1.0
  H  H14  1  0.978  0.599  0.610  1.0
  H  H15  1  0.022  0.599  0.390  1.0
  H  H16  1  0.478  0.901  0.890  1.0
  H  H17  1  0.522  0.901  0.110  1.0
  N  N18  1  0.116  0.500  0.380  1.0
  N  N19  1  0.884  0.500  0.620  1.0
  N  N20  1  0.616  0.000  0.120  1.0
  N  N21  1  0.384  0.000  0.880  1.0
  O  O22  1  0.327  0.185  0.641  1.0
  O  O23  1  0.673  0.185  0.359  1.0
  O  O24  1  0.827  0.315  0.859  1.0
  O  O25  1  0.173  0.315  0.141  1.0
  O  O26  1  0.673  0.815  0.359  1.0
  O  O27  1  0.327  0.815  0.641  1.0
  O  O28  1  0.173  0.685  0.141  1.0
  O  O29  1  0.827  0.685  0.859  1.0
  O  O30  1  0.480  0.288  0.670  1.0
  O  O31  1  0.520  0.288  0.330  1.0
  O  O32  1  0.980  0.212  0.830  1.0
  O  O33  1  0.020  0.212  0.170  1.0
  O  O34  1  0.520  0.712  0.330  1.0
  O  O35  1  0.480  0.712  0.670  1.0
  O  O36  1  0.020  0.788  0.170  1.0
  O  O37  1  0.980  0.788  0.830  1.0
  O  O38  1  0.225  0.235  0.558  1.0
  O  O39  1  0.775  0.235  0.442  1.0
  O  O40  1  0.725  0.265  0.942  1.0
  O  O41  1  0.275  0.265  0.058  1.0
  O  O42  1  0.775  0.765  0.442  1.0
  O  O43  1  0.225  0.765  0.558  1.0
  O  O44  1  0.275  0.735  0.058  1.0
  O  O45  1  0.725  0.735  0.942  1.0
[/CIF]
.
The crystal structure described by Cs2BaH6(NO6)2 crystallizes in the orthorhombic Pnnm space group. Cs(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Ba(1) is bonded in a distorted q6 geometry to two equivalent N(1), four equivalent O(2), and four equivalent O(3) atoms. N(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one H(1), and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ba(1), and one O(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. In the third O site, O(2) is bonded to two equivalent Cs(1), one Ba(1), and one O(1) atom to form a mixture of distorted corner and edge-sharing OCs2BaO tetrahedra. is represented by the CIF file [CIF]
data_Cs2BaH6(NO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   8.293
_cell_length_c   13.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.667
_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
  Cs  Cs0  1  0.328  0.500  0.861  1.0
  Cs  Cs1  1  0.672  0.500  0.139  1.0
  Cs  Cs2  1  0.828  0.000  0.639  1.0
  Cs  Cs3  1  0.172  0.000  0.361  1.0
  Ba  Ba4  1  0.500  0.500  0.500  1.0
  Ba  Ba5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.165  0.500  0.309  1.0
  H  H7  1  0.835  0.500  0.691  1.0
  H  H8  1  0.665  0.000  0.191  1.0
  H  H9  1  0.335  0.000  0.809  1.0
  H  H10  1  0.022  0.401  0.390  1.0
  H  H11  1  0.978  0.401  0.610  1.0
  H  H12  1  0.522  0.099  0.110  1.0
  H  H13  1  0.478  0.099  0.890  1.0
  H  H14  1  0.978  0.599  0.610  1.0
  H  H15  1  0.022  0.599  0.390  1.0
  H  H16  1  0.478  0.901  0.890  1.0
  H  H17  1  0.522  0.901  0.110  1.0
  N  N18  1  0.116  0.500  0.380  1.0
  N  N19  1  0.884  0.500  0.620  1.0
  N  N20  1  0.616  0.000  0.120  1.0
  N  N21  1  0.384  0.000  0.880  1.0
  O  O22  1  0.327  0.185  0.641  1.0
  O  O23  1  0.673  0.185  0.359  1.0
  O  O24  1  0.827  0.315  0.859  1.0
  O  O25  1  0.173  0.315  0.141  1.0
  O  O26  1  0.673  0.815  0.359  1.0
  O  O27  1  0.327  0.815  0.641  1.0
  O  O28  1  0.173  0.685  0.141  1.0
  O  O29  1  0.827  0.685  0.859  1.0
  O  O30  1  0.480  0.288  0.670  1.0
  O  O31  1  0.520  0.288  0.330  1.0
  O  O32  1  0.980  0.212  0.830  1.0
  O  O33  1  0.020  0.212  0.170  1.0
  O  O34  1  0.520  0.712  0.330  1.0
  O  O35  1  0.480  0.712  0.670  1.0
  O  O36  1  0.020  0.788  0.170  1.0
  O  O37  1  0.980  0.788  0.830  1.0
  O  O38  1  0.225  0.235  0.558  1.0
  O  O39  1  0.775  0.235  0.442  1.0
  O  O40  1  0.725  0.265  0.942  1.0
  O  O41  1  0.275  0.265  0.058  1.0
  O  O42  1  0.775  0.765  0.442  1.0
  O  O43  1  0.225  0.765  0.558  1.0
  O  O44  1  0.275  0.735  0.058  1.0
  O  O45  1  0.725  0.735  0.942  1.0
[/CIF]
.