The compound described by Na2CaC2H10O11 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to one H(4), one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Na(1) and one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one H(1) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one C(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent H(5) atoms. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Ca(1), and one C(1) atom. In the sixth O site, O(2) is bonded in a distorted water-like geometry to one Na(1), one Ca(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_Na2CaH10C2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.259
_cell_length_c   11.287
_cell_angle_alpha   57.419
_cell_angle_beta   57.419
_cell_angle_gamma   55.659
_symmetry_Int_Tables_number   1
_cell_volume   504.276
_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  0.103  0.721  0.486  1.0
  Na  Na1  1  0.279  0.897  0.014  1.0
  Na  Na2  1  0.897  0.279  0.514  1.0
  Na  Na3  1  0.721  0.103  0.986  1.0
  Ca  Ca4  1  0.193  0.807  0.750  1.0
  Ca  Ca5  1  0.807  0.193  0.250  1.0
  H  H6  1  0.239  0.408  0.751  1.0
  H  H7  1  0.592  0.761  0.749  1.0
  H  H8  1  0.761  0.592  0.249  1.0
  H  H9  1  0.408  0.239  0.251  1.0
  H  H10  1  0.220  0.349  0.918  1.0
  H  H11  1  0.651  0.780  0.582  1.0
  H  H12  1  0.274  0.493  0.047  1.0
  H  H13  1  0.507  0.726  0.453  1.0
  H  H14  1  0.726  0.507  0.953  1.0
  H  H15  1  0.493  0.274  0.547  1.0
  H  H16  1  0.087  0.706  0.074  1.0
  H  H17  1  0.349  0.220  0.418  1.0
  H  H18  1  0.913  0.294  0.926  1.0
  H  H19  1  0.706  0.087  0.574  1.0
  H  H20  1  0.529  0.350  0.770  1.0
  H  H21  1  0.650  0.471  0.730  1.0
  H  H22  1  0.471  0.650  0.230  1.0
  H  H23  1  0.350  0.529  0.270  1.0
  H  H24  1  0.780  0.651  0.082  1.0
  H  H25  1  0.294  0.913  0.426  1.0
  C  C26  1  0.787  0.835  0.817  1.0
  C  C27  1  0.835  0.787  0.317  1.0
  C  C28  1  0.165  0.213  0.683  1.0
  C  C29  1  0.213  0.165  0.183  1.0
  O  O30  1  0.891  0.898  0.675  1.0
  O  O31  1  0.780  0.353  0.000  1.0
  O  O32  1  0.353  0.780  0.500  1.0
  O  O33  1  0.220  0.647  1.000  1.0
  O  O34  1  0.443  0.263  0.312  1.0
  O  O35  1  0.737  0.557  0.188  1.0
  O  O36  1  0.557  0.737  0.688  1.0
  O  O37  1  0.263  0.443  0.812  1.0
  O  O38  1  0.647  0.220  0.500  1.0
  O  O39  1  0.102  0.109  0.825  1.0
  O  O40  1  0.109  0.102  0.325  1.0
  O  O41  1  0.898  0.891  0.175  1.0
  O  O42  1  0.636  0.782  0.864  1.0
  O  O43  1  0.218  0.364  0.636  1.0
  O  O44  1  0.364  0.218  0.136  1.0
  O  O45  1  0.782  0.636  0.364  1.0
  O  O46  1  0.178  0.158  0.588  1.0
  O  O47  1  0.672  0.328  0.750  1.0
  O  O48  1  0.158  0.178  0.088  1.0
  O  O49  1  0.842  0.822  0.912  1.0
  O  O50  1  0.328  0.672  0.250  1.0
  O  O51  1  0.822  0.842  0.412  1.0
[/CIF]
.
The compound described by Na2CaC2H10O11 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to one H(4), one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Na(1) and one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one H(1) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one C(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent H(5) atoms. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Ca(1), and one C(1) atom. In the sixth O site, O(2) is bonded in a distorted water-like geometry to one Na(1), one Ca(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_Na2CaH10C2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.259
_cell_length_c   11.287
_cell_angle_alpha   57.419
_cell_angle_beta   57.419
_cell_angle_gamma   55.659
_symmetry_Int_Tables_number   1
_cell_volume   504.276
_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  0.103  0.721  0.486  1.0
  Na  Na1  1  0.279  0.897  0.014  1.0
  Na  Na2  1  0.897  0.279  0.514  1.0
  Na  Na3  1  0.721  0.103  0.986  1.0
  Ca  Ca4  1  0.193  0.807  0.750  1.0
  Ca  Ca5  1  0.807  0.193  0.250  1.0
  H  H6  1  0.239  0.408  0.751  1.0
  H  H7  1  0.592  0.761  0.749  1.0
  H  H8  1  0.761  0.592  0.249  1.0
  H  H9  1  0.408  0.239  0.251  1.0
  H  H10  1  0.220  0.349  0.918  1.0
  H  H11  1  0.651  0.780  0.582  1.0
  H  H12  1  0.274  0.493  0.047  1.0
  H  H13  1  0.507  0.726  0.453  1.0
  H  H14  1  0.726  0.507  0.953  1.0
  H  H15  1  0.493  0.274  0.547  1.0
  H  H16  1  0.087  0.706  0.074  1.0
  H  H17  1  0.349  0.220  0.418  1.0
  H  H18  1  0.913  0.294  0.926  1.0
  H  H19  1  0.706  0.087  0.574  1.0
  H  H20  1  0.529  0.350  0.770  1.0
  H  H21  1  0.650  0.471  0.730  1.0
  H  H22  1  0.471  0.650  0.230  1.0
  H  H23  1  0.350  0.529  0.270  1.0
  H  H24  1  0.780  0.651  0.082  1.0
  H  H25  1  0.294  0.913  0.426  1.0
  C  C26  1  0.787  0.835  0.817  1.0
  C  C27  1  0.835  0.787  0.317  1.0
  C  C28  1  0.165  0.213  0.683  1.0
  C  C29  1  0.213  0.165  0.183  1.0
  O  O30  1  0.891  0.898  0.675  1.0
  O  O31  1  0.780  0.353  0.000  1.0
  O  O32  1  0.353  0.780  0.500  1.0
  O  O33  1  0.220  0.647  1.000  1.0
  O  O34  1  0.443  0.263  0.312  1.0
  O  O35  1  0.737  0.557  0.188  1.0
  O  O36  1  0.557  0.737  0.688  1.0
  O  O37  1  0.263  0.443  0.812  1.0
  O  O38  1  0.647  0.220  0.500  1.0
  O  O39  1  0.102  0.109  0.825  1.0
  O  O40  1  0.109  0.102  0.325  1.0
  O  O41  1  0.898  0.891  0.175  1.0
  O  O42  1  0.636  0.782  0.864  1.0
  O  O43  1  0.218  0.364  0.636  1.0
  O  O44  1  0.364  0.218  0.136  1.0
  O  O45  1  0.782  0.636  0.364  1.0
  O  O46  1  0.178  0.158  0.588  1.0
  O  O47  1  0.672  0.328  0.750  1.0
  O  O48  1  0.158  0.178  0.088  1.0
  O  O49  1  0.842  0.822  0.912  1.0
  O  O50  1  0.328  0.672  0.250  1.0
  O  O51  1  0.822  0.842  0.412  1.0
[/CIF]
.