|
Morenosite |
 |
Iskhakova L D, Dubrovinskii L S, Charushnikova I A |
|   |
Soviet Physics - Crystallography 36 (1991) 360-363 |
|
Crystal structure, theoretical parameters of potential of atomic interaction |
|
(PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6) |
|
Locality: synthetic |
|
_database_code_amcsd 0015589 |
|
11.768 12.021 6.758 90 90 90 P2_12_12_1 |
|
atom x y z Biso |
|
Ni .42091 .10441 .04118 1.231 |
|
S .72614 .18357 .4911 1.33 |
|
O1 .6843 .0751 .4263 2.76 |
|
O2 .8511 .1873 .4820 2.37 |
|
O3 .6892 .2060 .6934 2.33 |
|
O4 .6789 .2714 .3610 2.03 |
|
Ow1 .2601 .1661 .0043 2.15 |
|
Ow2 .4689 .2483 .1898 1.84 |
|
Ow3 .4675 .1685 -.2254 2.27 |
|
Ow4 .5830 .0458 .0752 2.63 |
|
Ow5 .3722 -.0389 -.1072 1.91 |
|
Ow6 .3659 .0377 .3004 2.61 |
|
Ow7 .4891 .4357 .9301 2.55 |
|
H11 .229 .208 .103 3 |
|
H12 .234 .207 -.120 3 |
|
H21 .421 .264 .275 3 |
|
H22 .539 .252 .243 3 |
|
H31 .420 .213 -.297 3 |
|
H32 .542 .179 -.250 3 |
|
H41 .619 .031 .200 3 |
|
H42 .582 -.026 .014 4 |
|
H51 .367 -.081 .014 4 |
|
H52 .404 -.090 -.196 3 |
|
H61 .287 .052 .333 3 |
|
H62 .392 -.003 .416 4 |
|
H71 .415 .460 .936 4 |
|
H72 .482 .362 -.010 4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Retgersite |
 |
Iskhakova L D, Dubrovinskii L S, Charushnikova I A |
|   |
Soviet Physics - Crystallography 36 (1991) 360-363 |
|
Crystal structure, theoretical parameters of potential of atomic interaction |
|
(PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6) |
|
_database_code_amcsd 0015590 |
|
6.785 6.785 18.288 90 90 90 P4_12_12 |
|
atom x y z Biso |
|
Ni .21043 .21043 0 1.088 |
|
S .7097 .7097 0 1.26 |
|
O1 .6216 .6218 .0658 2.53 |
|
O2 .9232 .6732 0 2.10 |
|
Ow1 .1728 -.0463 .0528 2.20 |
|
Ow2 .4705 .2448 .0561 1.82 |
|
Ow3 .0648 .3558 .0850 1.70 |
|
H11 .075 -.141 .040 3 |
|
H12 .249 -.086 .096 3 |
|
H21 .568 .141 .049 3 |
|
H22 .542 .369 .056 3 |
|
H31 -.012 .468 .068 4 |
|
H32 -.018 .273 .116 2 |
|
|
| 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.