|
Nickelboussingaultite |
 |
Treushnikov E N, Kuskov V I, Soboleva L V, Belov N V |
| |
Soviet Physics Crystallography 23 (1978) 30-41 |
|
Distribution of electron density in nickel ammonium sulphate hexahydrate |
|
[Ni*6H2O](NH4)2(SO4)2 from x-ray diffraction data |
|
Locality: synthetic |
|
6.243 9.484 12.467 90 90 112.067 P2_1/n |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
N .77845 .13556 .34633 .01744 .00669 .00446 .00289 .00074 .00047 |
|
H7 .634 .087 .356 1.8 |
|
H8 .808 .213 .305 1.3 |
|
H9 .841 .071 .338 1.8 |
|
H10 .831 .175 .416 2.3 |
|
Ni .5 .5 .5 .01062 .00301 .00187 .00177 .00017 .00034 |
|
S .16861 -.09238 .36337 .01283 .00372 .00222 .00244 .00039 .00004 |
|
O1 -.06436 -.11650 .32312 .01600 .00999 .00349 .00563 .00098 -.00046 |
|
O2 .32473 -.08593 .27243 .01744 .01064 .00330 .00535 .00119 .00196 |
|
O3 .26179 .04864 .42481 .03448 .00512 .00525 .00339 -.00133 -.00258 |
|
O4 .15884 -.22062 .43327 .01869 .00551 .00351 .00330 .00136 -.00033 |
|
O5 .29735 -.00195 .06649 .01410 .00688 .00301 .00351 .00025 -.00033 |
|
O6 .00597 .16859 .10708 .01785 .00595 .00349 .00461 -.00115 -.0009 |
|
O7 .30469 .33931 .38990 .01772 .00530 .00293 .00217 -.00031 -.00033 |
|
H1 .415 .086 .072 1.7 |
|
H2 .789 .471 .362 1.9 |
|
H3 .902 .213 .090 1.6 |
|
H4 .145 .241 .125 .6 |
|
H5 .371 .364 .322 1.9 |
|
H6 .291 .243 .408 1.6 |
|
|
| 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.
