The structure described by BeH8(NO5)2 crystallizes in the tetragonal I-42d space group. Be(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two 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 distorted single-bond geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one N(1) and one H(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_BeH8(NO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.864
_cell_length_b   8.864
_cell_length_c   8.864
_cell_angle_alpha   97.250
_cell_angle_beta   97.250
_cell_angle_gamma   138.385
_symmetry_Int_Tables_number   1
_cell_volume   432.436
_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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.224  0.469  0.036  1.0
  H  H3  1  0.026  0.562  0.745  1.0
  H  H4  1  0.433  0.188  0.964  1.0
  H  H5  1  0.817  0.281  0.255  1.0
  H  H6  1  0.531  0.567  0.755  1.0
  H  H7  1  0.719  0.974  0.536  1.0
  H  H8  1  0.812  0.776  0.245  1.0
  H  H9  1  0.438  0.183  0.464  1.0
  H  H10  1  0.357  0.965  0.334  1.0
  H  H11  1  0.893  0.728  0.108  1.0
  H  H12  1  0.630  0.022  0.666  1.0
  H  H13  1  0.620  0.785  0.892  1.0
  H  H14  1  0.035  0.370  0.392  1.0
  H  H15  1  0.215  0.107  0.834  1.0
  H  H16  1  0.978  0.643  0.608  1.0
  H  H17  1  0.272  0.380  0.166  1.0
  N  N18  1  0.125  0.678  0.053  1.0
  N  N19  1  0.625  0.072  0.947  1.0
  N  N20  1  0.322  0.375  0.447  1.0
  N  N21  1  0.928  0.875  0.553  1.0
  O  O22  1  0.125  0.569  0.944  1.0
  O  O23  1  0.625  0.181  0.056  1.0
  O  O24  1  0.431  0.375  0.556  1.0
  O  O25  1  0.819  0.875  0.444  1.0
  O  O26  1  0.187  0.699  0.198  1.0
  O  O27  1  0.063  0.761  0.013  1.0
  O  O28  1  0.502  0.989  0.802  1.0
  O  O29  1  0.748  0.051  0.987  1.0
  O  O30  1  0.301  0.498  0.487  1.0
  O  O31  1  0.949  0.937  0.698  1.0
  O  O32  1  0.011  0.813  0.513  1.0
  O  O33  1  0.239  0.252  0.302  1.0
  O  O34  1  0.329  0.467  0.085  1.0
  O  O35  1  0.921  0.506  0.638  1.0
  O  O36  1  0.382  0.244  0.915  1.0
  O  O37  1  0.868  0.283  0.362  1.0
  O  O38  1  0.533  0.618  0.862  1.0
  O  O39  1  0.717  0.079  0.585  1.0
  O  O40  1  0.756  0.671  0.138  1.0
  O  O41  1  0.494  0.132  0.415  1.0
[/CIF]
.
The structure described by BeH8(NO5)2 crystallizes in the tetragonal I-42d space group. Be(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two 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 distorted single-bond geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one N(1) and one H(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Be(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_BeH8(NO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.864
_cell_length_b   8.864
_cell_length_c   8.864
_cell_angle_alpha   97.250
_cell_angle_beta   97.250
_cell_angle_gamma   138.385
_symmetry_Int_Tables_number   1
_cell_volume   432.436
_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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.224  0.469  0.036  1.0
  H  H3  1  0.026  0.562  0.745  1.0
  H  H4  1  0.433  0.188  0.964  1.0
  H  H5  1  0.817  0.281  0.255  1.0
  H  H6  1  0.531  0.567  0.755  1.0
  H  H7  1  0.719  0.974  0.536  1.0
  H  H8  1  0.812  0.776  0.245  1.0
  H  H9  1  0.438  0.183  0.464  1.0
  H  H10  1  0.357  0.965  0.334  1.0
  H  H11  1  0.893  0.728  0.108  1.0
  H  H12  1  0.630  0.022  0.666  1.0
  H  H13  1  0.620  0.785  0.892  1.0
  H  H14  1  0.035  0.370  0.392  1.0
  H  H15  1  0.215  0.107  0.834  1.0
  H  H16  1  0.978  0.643  0.608  1.0
  H  H17  1  0.272  0.380  0.166  1.0
  N  N18  1  0.125  0.678  0.053  1.0
  N  N19  1  0.625  0.072  0.947  1.0
  N  N20  1  0.322  0.375  0.447  1.0
  N  N21  1  0.928  0.875  0.553  1.0
  O  O22  1  0.125  0.569  0.944  1.0
  O  O23  1  0.625  0.181  0.056  1.0
  O  O24  1  0.431  0.375  0.556  1.0
  O  O25  1  0.819  0.875  0.444  1.0
  O  O26  1  0.187  0.699  0.198  1.0
  O  O27  1  0.063  0.761  0.013  1.0
  O  O28  1  0.502  0.989  0.802  1.0
  O  O29  1  0.748  0.051  0.987  1.0
  O  O30  1  0.301  0.498  0.487  1.0
  O  O31  1  0.949  0.937  0.698  1.0
  O  O32  1  0.011  0.813  0.513  1.0
  O  O33  1  0.239  0.252  0.302  1.0
  O  O34  1  0.329  0.467  0.085  1.0
  O  O35  1  0.921  0.506  0.638  1.0
  O  O36  1  0.382  0.244  0.915  1.0
  O  O37  1  0.868  0.283  0.362  1.0
  O  O38  1  0.533  0.618  0.862  1.0
  O  O39  1  0.717  0.079  0.585  1.0
  O  O40  1  0.756  0.671  0.138  1.0
  O  O41  1  0.494  0.132  0.415  1.0
[/CIF]
.