The material structure described by CsCN2H3O crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 5-coordinate geometry to two equivalent H(3) and three equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one O(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a water-like geometry to one C(1) and one H(3) atom. There are three 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. In the third H site, H(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(2) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsH3CN2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   7.256
_cell_length_c   9.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.443
_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  0.832  0.573  0.363  1.0
  Cs  Cs1  1  0.668  0.427  0.863  1.0
  Cs  Cs2  1  0.332  0.927  0.637  1.0
  Cs  Cs3  1  0.168  0.073  0.137  1.0
  H  H4  1  0.946  0.824  0.858  1.0
  H  H5  1  0.554  0.176  0.358  1.0
  H  H6  1  0.446  0.676  0.142  1.0
  H  H7  1  0.054  0.324  0.642  1.0
  H  H8  1  0.811  0.992  0.755  1.0
  H  H9  1  0.689  0.008  0.255  1.0
  H  H10  1  0.311  0.508  0.245  1.0
  H  H11  1  0.189  0.492  0.745  1.0
  H  H12  1  0.820  0.740  0.063  1.0
  H  H13  1  0.680  0.260  0.563  1.0
  H  H14  1  0.320  0.760  0.937  1.0
  H  H15  1  0.180  0.240  0.437  1.0
  C  C16  1  0.677  0.926  0.952  1.0
  C  C17  1  0.823  0.074  0.452  1.0
  C  C18  1  0.177  0.574  0.048  1.0
  C  C19  1  0.323  0.426  0.548  1.0
  N  N20  1  0.819  0.907  0.843  1.0
  N  N21  1  0.681  0.093  0.343  1.0
  N  N22  1  0.319  0.593  0.157  1.0
  N  N23  1  0.181  0.407  0.657  1.0
  N  N24  1  0.695  0.825  0.073  1.0
  N  N25  1  0.805  0.175  0.573  1.0
  N  N26  1  0.195  0.675  0.927  1.0
  N  N27  1  0.305  0.325  0.427  1.0
  O  O28  1  0.528  0.040  0.932  1.0
  O  O29  1  0.972  0.960  0.432  1.0
  O  O30  1  0.028  0.460  0.068  1.0
  O  O31  1  0.472  0.540  0.568  1.0
[/CIF]
.
The material structure described by CsCN2H3O crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 5-coordinate geometry to two equivalent H(3) and three equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one O(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a water-like geometry to one C(1) and one H(3) atom. There are three 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. In the third H site, H(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(2) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsH3CN2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   7.256
_cell_length_c   9.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.443
_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  0.832  0.573  0.363  1.0
  Cs  Cs1  1  0.668  0.427  0.863  1.0
  Cs  Cs2  1  0.332  0.927  0.637  1.0
  Cs  Cs3  1  0.168  0.073  0.137  1.0
  H  H4  1  0.946  0.824  0.858  1.0
  H  H5  1  0.554  0.176  0.358  1.0
  H  H6  1  0.446  0.676  0.142  1.0
  H  H7  1  0.054  0.324  0.642  1.0
  H  H8  1  0.811  0.992  0.755  1.0
  H  H9  1  0.689  0.008  0.255  1.0
  H  H10  1  0.311  0.508  0.245  1.0
  H  H11  1  0.189  0.492  0.745  1.0
  H  H12  1  0.820  0.740  0.063  1.0
  H  H13  1  0.680  0.260  0.563  1.0
  H  H14  1  0.320  0.760  0.937  1.0
  H  H15  1  0.180  0.240  0.437  1.0
  C  C16  1  0.677  0.926  0.952  1.0
  C  C17  1  0.823  0.074  0.452  1.0
  C  C18  1  0.177  0.574  0.048  1.0
  C  C19  1  0.323  0.426  0.548  1.0
  N  N20  1  0.819  0.907  0.843  1.0
  N  N21  1  0.681  0.093  0.343  1.0
  N  N22  1  0.319  0.593  0.157  1.0
  N  N23  1  0.181  0.407  0.657  1.0
  N  N24  1  0.695  0.825  0.073  1.0
  N  N25  1  0.805  0.175  0.573  1.0
  N  N26  1  0.195  0.675  0.927  1.0
  N  N27  1  0.305  0.325  0.427  1.0
  O  O28  1  0.528  0.040  0.932  1.0
  O  O29  1  0.972  0.960  0.432  1.0
  O  O30  1  0.028  0.460  0.068  1.0
  O  O31  1  0.472  0.540  0.568  1.0
[/CIF]
.