The material described by NaCoH3(CO2)3 crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NaO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   9.072
_cell_angle_alpha   55.082
_cell_angle_beta   55.082
_cell_angle_gamma   70.587
_symmetry_Int_Tables_number   1
_cell_volume   379.318
_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
  Na  Na0  1  0.677  0.501  0.067  1.0
  Na  Na1  1  0.499  0.323  0.933  1.0
  Co  Co2  1  0.816  0.003  0.752  1.0
  Co  Co3  1  0.997  0.184  0.248  1.0
  H  H4  1  0.502  0.498  0.500  1.0
  H  H5  1  0.269  0.754  0.739  1.0
  H  H6  1  0.230  0.237  0.533  1.0
  H  H7  1  0.030  0.970  0.000  1.0
  H  H8  1  0.763  0.770  0.467  1.0
  H  H9  1  0.246  0.731  0.261  1.0
  C  C10  1  0.624  0.376  0.500  1.0
  C  C11  1  0.133  0.650  0.860  1.0
  C  C12  1  0.233  0.243  0.406  1.0
  C  C13  1  0.908  0.092  0.000  1.0
  C  C14  1  0.757  0.767  0.594  1.0
  C  C15  1  0.350  0.867  0.140  1.0
  O  O16  1  0.734  0.363  0.337  1.0
  O  O17  1  0.168  0.465  0.976  1.0
  O  O18  1  0.075  0.167  0.456  1.0
  O  O19  1  0.876  0.190  0.086  1.0
  O  O20  1  0.959  0.724  0.870  1.0
  O  O21  1  0.678  0.614  0.771  1.0
  O  O22  1  0.810  0.124  0.914  1.0
  O  O23  1  0.276  0.041  0.130  1.0
  O  O24  1  0.386  0.322  0.229  1.0
  O  O25  1  0.637  0.266  0.663  1.0
  O  O26  1  0.535  0.832  0.024  1.0
  O  O27  1  0.833  0.925  0.544  1.0
[/CIF]
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The material described by NaCoH3(CO2)3 crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NaO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(1) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(3), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4) and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   9.072
_cell_angle_alpha   55.082
_cell_angle_beta   55.082
_cell_angle_gamma   70.587
_symmetry_Int_Tables_number   1
_cell_volume   379.318
_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
  Na  Na0  1  0.677  0.501  0.067  1.0
  Na  Na1  1  0.499  0.323  0.933  1.0
  Co  Co2  1  0.816  0.003  0.752  1.0
  Co  Co3  1  0.997  0.184  0.248  1.0
  H  H4  1  0.502  0.498  0.500  1.0
  H  H5  1  0.269  0.754  0.739  1.0
  H  H6  1  0.230  0.237  0.533  1.0
  H  H7  1  0.030  0.970  0.000  1.0
  H  H8  1  0.763  0.770  0.467  1.0
  H  H9  1  0.246  0.731  0.261  1.0
  C  C10  1  0.624  0.376  0.500  1.0
  C  C11  1  0.133  0.650  0.860  1.0
  C  C12  1  0.233  0.243  0.406  1.0
  C  C13  1  0.908  0.092  0.000  1.0
  C  C14  1  0.757  0.767  0.594  1.0
  C  C15  1  0.350  0.867  0.140  1.0
  O  O16  1  0.734  0.363  0.337  1.0
  O  O17  1  0.168  0.465  0.976  1.0
  O  O18  1  0.075  0.167  0.456  1.0
  O  O19  1  0.876  0.190  0.086  1.0
  O  O20  1  0.959  0.724  0.870  1.0
  O  O21  1  0.678  0.614  0.771  1.0
  O  O22  1  0.810  0.124  0.914  1.0
  O  O23  1  0.276  0.041  0.130  1.0
  O  O24  1  0.386  0.322  0.229  1.0
  O  O25  1  0.637  0.266  0.663  1.0
  O  O26  1  0.535  0.832  0.024  1.0
  O  O27  1  0.833  0.925  0.544  1.0
[/CIF]
.