The crystal structure described by HCO2Cs crystallizes in the orthorhombic Pbcm space group. Cs(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form a mixture of face, corner, and edge-sharing CsO8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   8.073
_cell_length_c   9.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.517
_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  0.950  0.000  0.250  1.0
  Cs  Cs1  1  0.050  0.500  0.750  1.0
  Cs  Cs2  1  0.050  0.000  0.750  1.0
  Cs  Cs3  1  0.950  0.500  0.250  1.0
  H  H4  1  0.564  0.250  0.971  1.0
  H  H5  1  0.564  0.750  0.529  1.0
  H  H6  1  0.436  0.750  0.029  1.0
  H  H7  1  0.436  0.250  0.471  1.0
  C  C8  1  0.393  0.250  0.048  1.0
  C  C9  1  0.393  0.750  0.452  1.0
  C  C10  1  0.607  0.750  0.952  1.0
  C  C11  1  0.607  0.250  0.548  1.0
  O  O12  1  0.462  0.250  0.174  1.0
  O  O13  1  0.462  0.750  0.326  1.0
  O  O14  1  0.538  0.750  0.826  1.0
  O  O15  1  0.538  0.250  0.674  1.0
  O  O16  1  0.154  0.250  0.999  1.0
  O  O17  1  0.154  0.750  0.501  1.0
  O  O18  1  0.846  0.750  0.001  1.0
  O  O19  1  0.846  0.250  0.499  1.0
[/CIF]
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The crystal structure described by HCO2Cs crystallizes in the orthorhombic Pbcm space group. Cs(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form a mixture of face, corner, and edge-sharing CsO8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsHCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   8.073
_cell_length_c   9.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.517
_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  0.950  0.000  0.250  1.0
  Cs  Cs1  1  0.050  0.500  0.750  1.0
  Cs  Cs2  1  0.050  0.000  0.750  1.0
  Cs  Cs3  1  0.950  0.500  0.250  1.0
  H  H4  1  0.564  0.250  0.971  1.0
  H  H5  1  0.564  0.750  0.529  1.0
  H  H6  1  0.436  0.750  0.029  1.0
  H  H7  1  0.436  0.250  0.471  1.0
  C  C8  1  0.393  0.250  0.048  1.0
  C  C9  1  0.393  0.750  0.452  1.0
  C  C10  1  0.607  0.750  0.952  1.0
  C  C11  1  0.607  0.250  0.548  1.0
  O  O12  1  0.462  0.250  0.174  1.0
  O  O13  1  0.462  0.750  0.326  1.0
  O  O14  1  0.538  0.750  0.826  1.0
  O  O15  1  0.538  0.250  0.674  1.0
  O  O16  1  0.154  0.250  0.999  1.0
  O  O17  1  0.154  0.750  0.501  1.0
  O  O18  1  0.846  0.750  0.001  1.0
  O  O19  1  0.846  0.250  0.499  1.0
[/CIF]
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