The material structure described by Na2Cu3H8(CO2)8 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form corner-sharing CuO5 square pyramids. The corner-sharing octahedral tilt angles are 68°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form distorted corner-sharing CuO6 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), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4), one O(7), and one O(8) atom. 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 eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cu(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one C(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(1), and one C(4) atom. is represented by the CIF file [CIF]
data_Na2Cu3H8(CO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.980
_cell_length_c   8.921
_cell_angle_alpha   112.926
_cell_angle_beta   109.252
_cell_angle_gamma   97.824
_symmetry_Int_Tables_number   1
_cell_volume   461.245
_cell_formula_units_Z   1
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  0.540  0.266  0.018  1.0
  Na  Na1  1  0.460  0.734  0.982  1.0
  Cu  Cu2  1  0.891  0.037  0.084  1.0
  Cu  Cu3  1  0.109  0.963  0.916  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.349  0.465  0.334  1.0
  H  H6  1  0.651  0.535  0.666  1.0
  H  H7  1  0.797  0.242  0.742  1.0
  H  H8  1  0.203  0.758  0.258  1.0
  H  H9  1  0.855  0.798  0.421  1.0
  H  H10  1  0.145  0.202  0.579  1.0
  H  H11  1  0.579  0.072  0.378  1.0
  H  H12  1  0.421  0.928  0.622  1.0
  C  C13  1  0.246  0.323  0.235  1.0
  C  C14  1  0.754  0.677  0.765  1.0
  C  C15  1  0.854  0.166  0.819  1.0
  C  C16  1  0.146  0.834  0.181  1.0
  C  C17  1  0.745  0.660  0.319  1.0
  C  C18  1  0.255  0.340  0.681  1.0
  C  C19  1  0.691  0.144  0.352  1.0
  C  C20  1  0.309  0.856  0.648  1.0
  O  O21  1  0.097  0.282  0.258  1.0
  O  O22  1  0.903  0.718  0.742  1.0
  O  O23  1  0.290  0.220  0.113  1.0
  O  O24  1  0.710  0.780  0.887  1.0
  O  O25  1  0.787  0.163  0.931  1.0
  O  O26  1  0.213  0.837  0.069  1.0
  O  O27  1  0.980  0.095  0.784  1.0
  O  O28  1  0.020  0.905  0.216  1.0
  O  O29  1  0.784  0.506  0.314  1.0
  O  O30  1  0.216  0.494  0.686  1.0
  O  O31  1  0.591  0.656  0.212  1.0
  O  O32  1  0.409  0.344  0.788  1.0
  O  O33  1  0.817  0.290  0.491  1.0
  O  O34  1  0.183  0.710  0.509  1.0
  O  O35  1  0.677  0.071  0.193  1.0
  O  O36  1  0.323  0.929  0.807  1.0
[/CIF]
.
The material structure described by Na2Cu3H8(CO2)8 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(8) atom to form corner-sharing CuO5 square pyramids. The corner-sharing octahedral tilt angles are 68°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form distorted corner-sharing CuO6 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), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(2), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one H(4), one O(7), and one O(8) atom. 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 eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cu(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(2), and one C(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(1), and one C(4) atom. is represented by the CIF file [CIF]
data_Na2Cu3H8(CO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.980
_cell_length_c   8.921
_cell_angle_alpha   112.926
_cell_angle_beta   109.252
_cell_angle_gamma   97.824
_symmetry_Int_Tables_number   1
_cell_volume   461.245
_cell_formula_units_Z   1
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  0.540  0.266  0.018  1.0
  Na  Na1  1  0.460  0.734  0.982  1.0
  Cu  Cu2  1  0.891  0.037  0.084  1.0
  Cu  Cu3  1  0.109  0.963  0.916  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.349  0.465  0.334  1.0
  H  H6  1  0.651  0.535  0.666  1.0
  H  H7  1  0.797  0.242  0.742  1.0
  H  H8  1  0.203  0.758  0.258  1.0
  H  H9  1  0.855  0.798  0.421  1.0
  H  H10  1  0.145  0.202  0.579  1.0
  H  H11  1  0.579  0.072  0.378  1.0
  H  H12  1  0.421  0.928  0.622  1.0
  C  C13  1  0.246  0.323  0.235  1.0
  C  C14  1  0.754  0.677  0.765  1.0
  C  C15  1  0.854  0.166  0.819  1.0
  C  C16  1  0.146  0.834  0.181  1.0
  C  C17  1  0.745  0.660  0.319  1.0
  C  C18  1  0.255  0.340  0.681  1.0
  C  C19  1  0.691  0.144  0.352  1.0
  C  C20  1  0.309  0.856  0.648  1.0
  O  O21  1  0.097  0.282  0.258  1.0
  O  O22  1  0.903  0.718  0.742  1.0
  O  O23  1  0.290  0.220  0.113  1.0
  O  O24  1  0.710  0.780  0.887  1.0
  O  O25  1  0.787  0.163  0.931  1.0
  O  O26  1  0.213  0.837  0.069  1.0
  O  O27  1  0.980  0.095  0.784  1.0
  O  O28  1  0.020  0.905  0.216  1.0
  O  O29  1  0.784  0.506  0.314  1.0
  O  O30  1  0.216  0.494  0.686  1.0
  O  O31  1  0.591  0.656  0.212  1.0
  O  O32  1  0.409  0.344  0.788  1.0
  O  O33  1  0.817  0.290  0.491  1.0
  O  O34  1  0.183  0.710  0.509  1.0
  O  O35  1  0.677  0.071  0.193  1.0
  O  O36  1  0.323  0.929  0.807  1.0
[/CIF]
.