The structure described by RbCN3H4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 16-coordinate geometry to one C(1), one N(1), six equivalent N(2), four equivalent H(1), and four equivalent H(2) atoms. C(1) is bonded in a trigonal planar geometry to one Rb(1), one N(1), and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Rb(1), one C(1), and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a water-like geometry to three equivalent Rb(1), one C(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbH4CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.055
_cell_length_b   7.162
_cell_length_c   7.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.744
_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
  Rb  Rb0  1  0.527  0.250  0.923  1.0
  Rb  Rb1  1  0.027  0.250  0.577  1.0
  Rb  Rb2  1  0.473  0.750  0.077  1.0
  Rb  Rb3  1  0.973  0.750  0.423  1.0
  H  H4  1  0.953  0.128  0.945  1.0
  H  H5  1  0.453  0.372  0.555  1.0
  H  H6  1  0.047  0.628  0.055  1.0
  H  H7  1  0.547  0.872  0.445  1.0
  H  H8  1  0.047  0.872  0.055  1.0
  H  H9  1  0.547  0.628  0.445  1.0
  H  H10  1  0.953  0.372  0.945  1.0
  H  H11  1  0.453  0.128  0.555  1.0
  H  H12  1  0.296  0.098  0.281  1.0
  H  H13  1  0.796  0.402  0.219  1.0
  H  H14  1  0.704  0.598  0.719  1.0
  H  H15  1  0.204  0.902  0.781  1.0
  H  H16  1  0.704  0.902  0.719  1.0
  H  H17  1  0.204  0.598  0.781  1.0
  H  H18  1  0.296  0.402  0.281  1.0
  H  H19  1  0.796  0.098  0.219  1.0
  C  C20  1  0.857  0.750  0.875  1.0
  C  C21  1  0.357  0.750  0.625  1.0
  C  C22  1  0.143  0.250  0.125  1.0
  C  C23  1  0.643  0.250  0.375  1.0
  N  N24  1  0.019  0.250  0.984  1.0
  N  N25  1  0.519  0.250  0.516  1.0
  N  N26  1  0.981  0.750  0.016  1.0
  N  N27  1  0.481  0.750  0.484  1.0
  N  N28  1  0.802  0.580  0.817  1.0
  N  N29  1  0.302  0.920  0.683  1.0
  N  N30  1  0.198  0.080  0.183  1.0
  N  N31  1  0.698  0.420  0.317  1.0
  N  N32  1  0.198  0.420  0.183  1.0
  N  N33  1  0.698  0.080  0.317  1.0
  N  N34  1  0.802  0.920  0.817  1.0
  N  N35  1  0.302  0.580  0.683  1.0
[/CIF]
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The structure described by RbCN3H4 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 16-coordinate geometry to one C(1), one N(1), six equivalent N(2), four equivalent H(1), and four equivalent H(2) atoms. C(1) is bonded in a trigonal planar geometry to one Rb(1), one N(1), and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Rb(1), one C(1), and two equivalent H(1) atoms. In the second N site, N(2) is bonded in a water-like geometry to three equivalent Rb(1), one C(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbH4CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.055
_cell_length_b   7.162
_cell_length_c   7.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.744
_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
  Rb  Rb0  1  0.527  0.250  0.923  1.0
  Rb  Rb1  1  0.027  0.250  0.577  1.0
  Rb  Rb2  1  0.473  0.750  0.077  1.0
  Rb  Rb3  1  0.973  0.750  0.423  1.0
  H  H4  1  0.953  0.128  0.945  1.0
  H  H5  1  0.453  0.372  0.555  1.0
  H  H6  1  0.047  0.628  0.055  1.0
  H  H7  1  0.547  0.872  0.445  1.0
  H  H8  1  0.047  0.872  0.055  1.0
  H  H9  1  0.547  0.628  0.445  1.0
  H  H10  1  0.953  0.372  0.945  1.0
  H  H11  1  0.453  0.128  0.555  1.0
  H  H12  1  0.296  0.098  0.281  1.0
  H  H13  1  0.796  0.402  0.219  1.0
  H  H14  1  0.704  0.598  0.719  1.0
  H  H15  1  0.204  0.902  0.781  1.0
  H  H16  1  0.704  0.902  0.719  1.0
  H  H17  1  0.204  0.598  0.781  1.0
  H  H18  1  0.296  0.402  0.281  1.0
  H  H19  1  0.796  0.098  0.219  1.0
  C  C20  1  0.857  0.750  0.875  1.0
  C  C21  1  0.357  0.750  0.625  1.0
  C  C22  1  0.143  0.250  0.125  1.0
  C  C23  1  0.643  0.250  0.375  1.0
  N  N24  1  0.019  0.250  0.984  1.0
  N  N25  1  0.519  0.250  0.516  1.0
  N  N26  1  0.981  0.750  0.016  1.0
  N  N27  1  0.481  0.750  0.484  1.0
  N  N28  1  0.802  0.580  0.817  1.0
  N  N29  1  0.302  0.920  0.683  1.0
  N  N30  1  0.198  0.080  0.183  1.0
  N  N31  1  0.698  0.420  0.317  1.0
  N  N32  1  0.198  0.420  0.183  1.0
  N  N33  1  0.698  0.080  0.317  1.0
  N  N34  1  0.802  0.920  0.817  1.0
  N  N35  1  0.302  0.580  0.683  1.0
[/CIF]
.