The material structure described by BaH(NO2)2 crystallizes in the hexagonal P6_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one N(2), two equivalent H(1), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one O(3) and one O(4) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one O(1), and one O(2) atom. H(1) is bonded in a water-like geometry to two equivalent Ba(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one N(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(2) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(2) atom. is represented by the CIF file [CIF]
data_BaH(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   7.073
_cell_length_c   17.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   767.745
_cell_formula_units_Z   6
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  0.563  0.153  0.999  1.0
  Ba  Ba1  1  0.590  0.437  0.665  1.0
  Ba  Ba2  1  0.437  0.847  0.499  1.0
  Ba  Ba3  1  0.847  0.410  0.332  1.0
  Ba  Ba4  1  0.410  0.563  0.165  1.0
  Ba  Ba5  1  0.153  0.590  0.832  1.0
  H  H6  1  0.926  0.146  0.915  1.0
  H  H7  1  0.220  0.074  0.582  1.0
  H  H8  1  0.074  0.854  0.415  1.0
  H  H9  1  0.854  0.780  0.248  1.0
  H  H10  1  0.780  0.926  0.082  1.0
  H  H11  1  0.146  0.220  0.748  1.0
  N  N12  1  0.756  0.787  0.813  1.0
  N  N13  1  0.032  0.244  0.479  1.0
  N  N14  1  0.244  0.213  0.313  1.0
  N  N15  1  0.213  0.968  0.146  1.0
  N  N16  1  0.968  0.756  0.979  1.0
  N  N17  1  0.787  0.032  0.646  1.0
  N  N18  1  0.438  0.551  0.991  1.0
  N  N19  1  0.114  0.562  0.658  1.0
  N  N20  1  0.562  0.449  0.491  1.0
  N  N21  1  0.449  0.886  0.325  1.0
  N  N22  1  0.886  0.438  0.158  1.0
  N  N23  1  0.551  0.114  0.825  1.0
  O  O24  1  0.417  0.710  0.967  1.0
  O  O25  1  0.293  0.583  0.633  1.0
  O  O26  1  0.583  0.290  0.467  1.0
  O  O27  1  0.290  0.707  0.300  1.0
  O  O28  1  0.707  0.417  0.133  1.0
  O  O29  1  0.710  0.293  0.800  1.0
  O  O30  1  0.374  0.392  0.946  1.0
  O  O31  1  0.018  0.626  0.613  1.0
  O  O32  1  0.626  0.608  0.446  1.0
  O  O33  1  0.608  0.982  0.280  1.0
  O  O34  1  0.982  0.374  0.113  1.0
  O  O35  1  0.392  0.018  0.780  1.0
  O  O36  1  0.756  0.863  0.611  1.0
  O  O37  1  0.107  0.244  0.277  1.0
  O  O38  1  0.244  0.137  0.111  1.0
  O  O39  1  0.137  0.893  0.944  1.0
  O  O40  1  0.893  0.756  0.777  1.0
  O  O41  1  0.863  0.107  0.444  1.0
  O  O42  1  0.558  0.666  0.790  1.0
  O  O43  1  0.108  0.442  0.457  1.0
  O  O44  1  0.442  0.334  0.290  1.0
  O  O45  1  0.334  0.892  0.123  1.0
  O  O46  1  0.892  0.558  0.957  1.0
  O  O47  1  0.666  0.108  0.623  1.0
[/CIF]
.
The material structure described by BaH(NO2)2 crystallizes in the hexagonal P6_1 space group. Ba(1) is bonded in a 11-coordinate geometry to one N(2), two equivalent H(1), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one O(3) and one O(4) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one O(1), and one O(2) atom. H(1) is bonded in a water-like geometry to two equivalent Ba(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one N(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(2) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(2) atom. is represented by the CIF file [CIF]
data_BaH(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   7.073
_cell_length_c   17.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   767.745
_cell_formula_units_Z   6
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  0.563  0.153  0.999  1.0
  Ba  Ba1  1  0.590  0.437  0.665  1.0
  Ba  Ba2  1  0.437  0.847  0.499  1.0
  Ba  Ba3  1  0.847  0.410  0.332  1.0
  Ba  Ba4  1  0.410  0.563  0.165  1.0
  Ba  Ba5  1  0.153  0.590  0.832  1.0
  H  H6  1  0.926  0.146  0.915  1.0
  H  H7  1  0.220  0.074  0.582  1.0
  H  H8  1  0.074  0.854  0.415  1.0
  H  H9  1  0.854  0.780  0.248  1.0
  H  H10  1  0.780  0.926  0.082  1.0
  H  H11  1  0.146  0.220  0.748  1.0
  N  N12  1  0.756  0.787  0.813  1.0
  N  N13  1  0.032  0.244  0.479  1.0
  N  N14  1  0.244  0.213  0.313  1.0
  N  N15  1  0.213  0.968  0.146  1.0
  N  N16  1  0.968  0.756  0.979  1.0
  N  N17  1  0.787  0.032  0.646  1.0
  N  N18  1  0.438  0.551  0.991  1.0
  N  N19  1  0.114  0.562  0.658  1.0
  N  N20  1  0.562  0.449  0.491  1.0
  N  N21  1  0.449  0.886  0.325  1.0
  N  N22  1  0.886  0.438  0.158  1.0
  N  N23  1  0.551  0.114  0.825  1.0
  O  O24  1  0.417  0.710  0.967  1.0
  O  O25  1  0.293  0.583  0.633  1.0
  O  O26  1  0.583  0.290  0.467  1.0
  O  O27  1  0.290  0.707  0.300  1.0
  O  O28  1  0.707  0.417  0.133  1.0
  O  O29  1  0.710  0.293  0.800  1.0
  O  O30  1  0.374  0.392  0.946  1.0
  O  O31  1  0.018  0.626  0.613  1.0
  O  O32  1  0.626  0.608  0.446  1.0
  O  O33  1  0.608  0.982  0.280  1.0
  O  O34  1  0.982  0.374  0.113  1.0
  O  O35  1  0.392  0.018  0.780  1.0
  O  O36  1  0.756  0.863  0.611  1.0
  O  O37  1  0.107  0.244  0.277  1.0
  O  O38  1  0.244  0.137  0.111  1.0
  O  O39  1  0.137  0.893  0.944  1.0
  O  O40  1  0.893  0.756  0.777  1.0
  O  O41  1  0.863  0.107  0.444  1.0
  O  O42  1  0.558  0.666  0.790  1.0
  O  O43  1  0.108  0.442  0.457  1.0
  O  O44  1  0.442  0.334  0.290  1.0
  O  O45  1  0.334  0.892  0.123  1.0
  O  O46  1  0.892  0.558  0.957  1.0
  O  O47  1  0.666  0.108  0.623  1.0
[/CIF]
.