|
Dorfmanite |
 |
Catti M, Ferraris G, Franchini-Angela M |
 |
Acta Crystallographica B33 (1977) 3449-3452 |
|
The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds |
|
Locality: synthetic |
|
Note: displacement parameters from ICSD, Biso(H1) invented |
|
_database_code_amcsd 0009612 |
|
16.8720 10.359 6.599 90 90 90 Pbca |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .77105 .23198 .82964 .001642 .002633 .007234 .000186 .000561 .000000 |
|
Na2 .00021 .14973 .64229 .001467 .003891 .010391 -.000172 -.000359 -.001353 |
|
P .66256 .48293 .62163 .000782 .001771 .005109 .000000 .000000 -.000183 |
|
O1 .6491 .5210 .8438 .001774 .003471 .006602 .000029 .000382 -.000841 |
|
O2 .6937 .3463 .5998 .001352 .002190 .009817 .000157 .000314 -.000073 |
|
O3 .5903 .5103 .4941 .001247 .003425 .010391 .000157 -.001055 .000146 |
|
Oh4 .7320 .5792 .5489 .001256 .002609 .010161 -.000186 .000831 -.000256 |
|
Ow1 .5676 .1837 .5504 .001484 .004543 .011884 -.000215 .000651 -.000841 |
|
Ow2 .8958 .3206 .6820 .002046 .004170 .011539 .000129 .000427 -.000110 |
|
H1 .586 .115 .491 2.1 |
|
H2 .605 .230 .553 2.5 |
|
H3 .901 .381 .778 1.6 |
|
H4 .889 .373 .566 1.7 |
|
H5 .772 .536 .479 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
