The material described by NaLiC2H4O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form NaO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(10), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  an edgeedge with one Na(1)O6 octahedra and  an edgeedge with one Na(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 74-75°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(5), 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(6), 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(7), 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(8), one O(7), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one C(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Li(1), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(2), one Li(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Li(1), one H(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Li(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_NaLiH4C2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   8.305
_cell_length_c   10.504
_cell_angle_alpha   109.561
_cell_angle_beta   99.409
_cell_angle_gamma   90.422
_symmetry_Int_Tables_number   1
_cell_volume   577.739
_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
  Na  Na0  1  0.408  0.139  0.645  1.0
  Na  Na1  1  0.592  0.861  0.355  1.0
  Na  Na2  1  0.910  0.146  0.647  1.0
  Na  Na3  1  0.090  0.854  0.353  1.0
  Li  Li4  1  0.216  0.439  0.863  1.0
  Li  Li5  1  0.784  0.561  0.137  1.0
  Li  Li6  1  0.694  0.868  0.795  1.0
  Li  Li7  1  0.306  0.132  0.205  1.0
  H  H8  1  0.548  0.466  0.827  1.0
  H  H9  1  0.452  0.534  0.173  1.0
  H  H10  1  0.438  0.558  0.730  1.0
  H  H11  1  0.562  0.442  0.270  1.0
  H  H12  1  0.869  0.465  0.836  1.0
  H  H13  1  0.131  0.535  0.164  1.0
  H  H14  1  0.925  0.566  0.740  1.0
  H  H15  1  0.075  0.434  0.260  1.0
  H  H16  1  0.034  0.386  0.499  1.0
  H  H17  1  0.966  0.614  0.501  1.0
  H  H18  1  0.365  0.587  0.481  1.0
  H  H19  1  0.635  0.413  0.519  1.0
  H  H20  1  0.202  0.969  0.866  1.0
  H  H21  1  0.798  0.031  0.134  1.0
  H  H22  1  0.729  0.198  0.017  1.0
  H  H23  1  0.271  0.802  0.983  1.0
  C  C24  1  0.091  0.268  0.435  1.0
  C  C25  1  0.909  0.732  0.565  1.0
  C  C26  1  0.396  0.719  0.557  1.0
  C  C27  1  0.604  0.281  0.443  1.0
  C  C28  1  0.222  0.112  0.909  1.0
  C  C29  1  0.778  0.888  0.091  1.0
  C  C30  1  0.723  0.236  0.925  1.0
  C  C31  1  0.277  0.764  0.075  1.0
  O  O32  1  0.122  0.151  0.488  1.0
  O  O33  1  0.878  0.849  0.512  1.0
  O  O34  1  0.118  0.262  0.318  1.0
  O  O35  1  0.882  0.738  0.682  1.0
  O  O36  1  0.379  0.841  0.511  1.0
  O  O37  1  0.621  0.159  0.489  1.0
  O  O38  1  0.450  0.732  0.682  1.0
  O  O39  1  0.550  0.268  0.318  1.0
  O  O40  1  0.200  0.188  0.821  1.0
  O  O41  1  0.800  0.812  0.179  1.0
  O  O42  1  0.262  0.182  0.037  1.0
  O  O43  1  0.738  0.818  0.963  1.0
  O  O44  1  0.700  0.118  0.809  1.0
  O  O45  1  0.300  0.882  0.191  1.0
  O  O46  1  0.738  0.397  0.946  1.0
  O  O47  1  0.262  0.603  0.054  1.0
  O  O48  1  0.430  0.457  0.762  1.0
  O  O49  1  0.570  0.543  0.238  1.0
  O  O50  1  0.954  0.465  0.770  1.0
  O  O51  1  0.046  0.535  0.230  1.0
[/CIF]
.
The material described by NaLiC2H4O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(5), one O(7), one O(9), and two equivalent O(3) atoms to form NaO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(10), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  an edgeedge with one Na(1)O6 octahedra and  an edgeedge with one Na(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 74-75°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(5), 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(6), 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(7), 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(8), one O(7), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one C(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Li(1), and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one C(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(2), one Li(2), and one C(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Li(1), one H(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(2), one Li(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_NaLiH4C2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   8.305
_cell_length_c   10.504
_cell_angle_alpha   109.561
_cell_angle_beta   99.409
_cell_angle_gamma   90.422
_symmetry_Int_Tables_number   1
_cell_volume   577.739
_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
  Na  Na0  1  0.408  0.139  0.645  1.0
  Na  Na1  1  0.592  0.861  0.355  1.0
  Na  Na2  1  0.910  0.146  0.647  1.0
  Na  Na3  1  0.090  0.854  0.353  1.0
  Li  Li4  1  0.216  0.439  0.863  1.0
  Li  Li5  1  0.784  0.561  0.137  1.0
  Li  Li6  1  0.694  0.868  0.795  1.0
  Li  Li7  1  0.306  0.132  0.205  1.0
  H  H8  1  0.548  0.466  0.827  1.0
  H  H9  1  0.452  0.534  0.173  1.0
  H  H10  1  0.438  0.558  0.730  1.0
  H  H11  1  0.562  0.442  0.270  1.0
  H  H12  1  0.869  0.465  0.836  1.0
  H  H13  1  0.131  0.535  0.164  1.0
  H  H14  1  0.925  0.566  0.740  1.0
  H  H15  1  0.075  0.434  0.260  1.0
  H  H16  1  0.034  0.386  0.499  1.0
  H  H17  1  0.966  0.614  0.501  1.0
  H  H18  1  0.365  0.587  0.481  1.0
  H  H19  1  0.635  0.413  0.519  1.0
  H  H20  1  0.202  0.969  0.866  1.0
  H  H21  1  0.798  0.031  0.134  1.0
  H  H22  1  0.729  0.198  0.017  1.0
  H  H23  1  0.271  0.802  0.983  1.0
  C  C24  1  0.091  0.268  0.435  1.0
  C  C25  1  0.909  0.732  0.565  1.0
  C  C26  1  0.396  0.719  0.557  1.0
  C  C27  1  0.604  0.281  0.443  1.0
  C  C28  1  0.222  0.112  0.909  1.0
  C  C29  1  0.778  0.888  0.091  1.0
  C  C30  1  0.723  0.236  0.925  1.0
  C  C31  1  0.277  0.764  0.075  1.0
  O  O32  1  0.122  0.151  0.488  1.0
  O  O33  1  0.878  0.849  0.512  1.0
  O  O34  1  0.118  0.262  0.318  1.0
  O  O35  1  0.882  0.738  0.682  1.0
  O  O36  1  0.379  0.841  0.511  1.0
  O  O37  1  0.621  0.159  0.489  1.0
  O  O38  1  0.450  0.732  0.682  1.0
  O  O39  1  0.550  0.268  0.318  1.0
  O  O40  1  0.200  0.188  0.821  1.0
  O  O41  1  0.800  0.812  0.179  1.0
  O  O42  1  0.262  0.182  0.037  1.0
  O  O43  1  0.738  0.818  0.963  1.0
  O  O44  1  0.700  0.118  0.809  1.0
  O  O45  1  0.300  0.882  0.191  1.0
  O  O46  1  0.738  0.397  0.946  1.0
  O  O47  1  0.262  0.603  0.054  1.0
  O  O48  1  0.430  0.457  0.762  1.0
  O  O49  1  0.570  0.543  0.238  1.0
  O  O50  1  0.954  0.465  0.770  1.0
  O  O51  1  0.046  0.535  0.230  1.0
[/CIF]
.