The material described by CsN2H5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 16-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent H(1), three equivalent H(2), three equivalent H(3), and four equivalent H(4) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to two equivalent Cs(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cs(1), one H(3), and two equivalent H(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(2) atom. is represented by the CIF card [CIF]
data_CsH5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   7.049
_cell_length_c   10.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.488
_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
  Cs  Cs0  1  0.250  0.295  0.916  1.0
  Cs  Cs1  1  0.250  0.795  0.584  1.0
  Cs  Cs2  1  0.750  0.705  0.084  1.0
  Cs  Cs3  1  0.750  0.205  0.416  1.0
  H  H4  1  0.250  0.234  0.636  1.0
  H  H5  1  0.250  0.734  0.864  1.0
  H  H6  1  0.750  0.766  0.364  1.0
  H  H7  1  0.750  0.266  0.136  1.0
  H  H8  1  0.250  0.388  0.521  1.0
  H  H9  1  0.250  0.888  0.979  1.0
  H  H10  1  0.750  0.612  0.479  1.0
  H  H11  1  0.750  0.112  0.021  1.0
  H  H12  1  0.250  0.767  0.247  1.0
  H  H13  1  0.250  0.267  0.253  1.0
  H  H14  1  0.750  0.233  0.753  1.0
  H  H15  1  0.750  0.733  0.747  1.0
  H  H16  1  0.400  0.595  0.312  1.0
  H  H17  1  0.100  0.095  0.188  1.0
  H  H18  1  0.900  0.405  0.688  1.0
  H  H19  1  0.600  0.905  0.812  1.0
  H  H20  1  0.600  0.405  0.688  1.0
  H  H21  1  0.900  0.905  0.812  1.0
  H  H22  1  0.100  0.595  0.312  1.0
  H  H23  1  0.400  0.095  0.188  1.0
  N  N24  1  0.250  0.379  0.621  1.0
  N  N25  1  0.250  0.879  0.879  1.0
  N  N26  1  0.750  0.621  0.379  1.0
  N  N27  1  0.750  0.121  0.121  1.0
  N  N28  1  0.250  0.622  0.256  1.0
  N  N29  1  0.250  0.122  0.244  1.0
  N  N30  1  0.750  0.378  0.744  1.0
  N  N31  1  0.750  0.878  0.756  1.0
[/CIF]
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The material described by CsN2H5 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 16-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent H(1), three equivalent H(2), three equivalent H(3), and four equivalent H(4) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to two equivalent Cs(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cs(1), one H(3), and two equivalent H(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(2) atom. is represented by the CIF card [CIF]
data_CsH5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   7.049
_cell_length_c   10.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.488
_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
  Cs  Cs0  1  0.250  0.295  0.916  1.0
  Cs  Cs1  1  0.250  0.795  0.584  1.0
  Cs  Cs2  1  0.750  0.705  0.084  1.0
  Cs  Cs3  1  0.750  0.205  0.416  1.0
  H  H4  1  0.250  0.234  0.636  1.0
  H  H5  1  0.250  0.734  0.864  1.0
  H  H6  1  0.750  0.766  0.364  1.0
  H  H7  1  0.750  0.266  0.136  1.0
  H  H8  1  0.250  0.388  0.521  1.0
  H  H9  1  0.250  0.888  0.979  1.0
  H  H10  1  0.750  0.612  0.479  1.0
  H  H11  1  0.750  0.112  0.021  1.0
  H  H12  1  0.250  0.767  0.247  1.0
  H  H13  1  0.250  0.267  0.253  1.0
  H  H14  1  0.750  0.233  0.753  1.0
  H  H15  1  0.750  0.733  0.747  1.0
  H  H16  1  0.400  0.595  0.312  1.0
  H  H17  1  0.100  0.095  0.188  1.0
  H  H18  1  0.900  0.405  0.688  1.0
  H  H19  1  0.600  0.905  0.812  1.0
  H  H20  1  0.600  0.405  0.688  1.0
  H  H21  1  0.900  0.905  0.812  1.0
  H  H22  1  0.100  0.595  0.312  1.0
  H  H23  1  0.400  0.095  0.188  1.0
  N  N24  1  0.250  0.379  0.621  1.0
  N  N25  1  0.250  0.879  0.879  1.0
  N  N26  1  0.750  0.621  0.379  1.0
  N  N27  1  0.750  0.121  0.121  1.0
  N  N28  1  0.250  0.622  0.256  1.0
  N  N29  1  0.250  0.122  0.244  1.0
  N  N30  1  0.750  0.378  0.744  1.0
  N  N31  1  0.750  0.878  0.756  1.0
[/CIF]
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