The material described by CH2O2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four methanediol molecules. C(1) is bonded in a water-like geometry to one O(1) and one O(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one H(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(1) and one H(2) atom. is represented by the CIF card [CIF]
data_H2CO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.259
_cell_length_b   4.905
_cell_length_c   6.519
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.185
_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
  C  C0  1  0.750  0.713  0.831  1.0
  C  C1  1  0.250  0.287  0.331  1.0
  H  H2  1  0.750  0.921  0.087  1.0
  H  H3  1  0.250  0.079  0.587  1.0
  H  H4  1  0.750  0.334  0.903  1.0
  H  H5  1  0.250  0.666  0.403  1.0
  O  O6  1  0.750  0.950  0.935  1.0
  O  O7  1  0.250  0.050  0.435  1.0
  O  O8  1  0.750  0.516  0.969  1.0
  O  O9  1  0.250  0.484  0.469  1.0
[/CIF]
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The material described by CH2O2 is Indium-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four methanediol molecules. C(1) is bonded in a water-like geometry to one O(1) and one O(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one C(1) and one H(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(1) and one H(2) atom. is represented by the CIF card [CIF]
data_H2CO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.259
_cell_length_b   4.905
_cell_length_c   6.519
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.185
_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
  C  C0  1  0.750  0.713  0.831  1.0
  C  C1  1  0.250  0.287  0.331  1.0
  H  H2  1  0.750  0.921  0.087  1.0
  H  H3  1  0.250  0.079  0.587  1.0
  H  H4  1  0.750  0.334  0.903  1.0
  H  H5  1  0.250  0.666  0.403  1.0
  O  O6  1  0.750  0.950  0.935  1.0
  O  O7  1  0.250  0.050  0.435  1.0
  O  O8  1  0.750  0.516  0.969  1.0
  O  O9  1  0.250  0.484  0.469  1.0
[/CIF]
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