|
Hydrate - propane |
| |
Rawn C J, Rondinone A J, Chakoumakos B C, Circone S, Stern L A, Kirby S H, Ishii Y |
| |
Canadian Journal of Physics 81 (2003) 431-438 |
|
Neutron powder diffraction studies as a function of temperature of structure II |
|
hydrate formed from propane |
|
Sample: T = 12 K, C3H8*17D20 |
|
_database_code_amcsd 0012175 |
|
17.092 17.092 17.092 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
C10 .4182 .3313 .4203 .042 .0281 |
|
C11 .3927 .4014 .3740 .042 .0281 |
|
C12 .3181 .3922 .3307 .042 .0281 |
|
H13 .470 .339 .452 .042 .0281 |
|
H14 .367 .319 .462 .042 .0281 |
|
H15 .419 .281 .381 .042 .0281 |
|
H16 .389 .453 .413 .042 .0281 |
|
H17 .440 .415 .332 .042 .0281 |
|
H18 .271 .379 .373 .042 .0281 |
|
H19 .323 .342 .291 .042 .0281 |
|
H20 .303 .445 .297 .042 .0281 |
|
O1 .1823 .1823 .3693 .0152 |
|
O2 .2187 .2187 .2187 .0152 |
|
O3 .125 .125 .125 .0152 |
|
D4 -.0163 -.021 .149 .5 .042 |
|
D5 .1453 .1453 .369 .5 .042 |
|
D6 .192 .192 .316 .5 .042 |
|
D7 .208 .208 .270 .5 .042 |
|
D8 .160 .160 .160 .5 .042 |
|
D9 .183 .183 .183 .5 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
