|
Ivsite |
|
Catti M, Ferraris G, Ivaldi G |
 |
Acta Crystallographica B35 (1979) 525-529 |
|
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 |
|
and S-OH vs O-H...O correlation |
|
Locality: synthetic |
|
_database_code_amcsd 0020234 |
|
8.648 9.648 9.143 90 108.77 90 P2_1/c |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .5 0 .5 |
|
Na3 .7453 -.0060 .2774 |
|
Na4 .3869 .1559 .1279 |
|
S1 .13929 .30906 .85771 |
|
S2 .63436 .31874 .40524 |
|
O1 .1547 .1578 .8752 |
|
O2 .2554 .3765 .9916 |
|
O3 -.0324 .3496 .8547 |
|
O4 .1596 .3568 .7146 |
|
O5 .6162 .3648 .5503 |
|
O6 .8095 .3375 .4152 |
|
O7 .5926 .1718 .3752 |
|
O8 .5334 .4044 .2778 |
|
H -.102 .270 .877 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Ivsite |
|
Catti M, Ferraris G, Ivaldi G |
 |
Acta Crystallographica B35 (1979) 525-529 |
|
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 |
|
and S-OH vs O-H...O correlation |
|
Locality: synthetic |
|
_database_code_amcsd 0020240 |
|
8.648 9.648 9.143 90 108.77 90 P2_1/c |
|
atom x y z |
|
Na1 0 0 0 |
|
Na2 .5 0 .5 |
|
Na3 .7453 -.0060 .2774 |
|
Na4 .3869 .1559 .1279 |
|
H -.102 .270 .877 |
|
S1 .13929 .30906 .85771 |
|
S2 .63436 .31874 .40524 |
|
O1 .1547 .1578 .8752 |
|
O2 .2554 .3765 .9916 |
|
O3 -.0324 .3496 .8547 |
|
O4 .1596 .3568 .7146 |
|
O5 .6162 .3648 .5503 |
|
O6 .8095 .3375 .4152 |
|
O7 .5926 .1718 .3752 |
|
O8 .5334 .4044 .2778 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|