|
Lueshite |
 |
Seidel P, Hoffmann W |
| |
Zeitschrift fur Kristallographie 143 (1976) 444-459 |
|
Verfeinerung der kristallstruktur von NaNbO3 |
|
N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes |
|
Note T = 84 K |
|
7.8147 7.8147 7.8147 89.17 89.17 89.17 R3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 0 .0042 .0042 .0042 -.0003 -.0003 -.0003 |
|
Na2 .5 .5 0 .0042 .0042 .0042 -.0003 -.0003 -.0003 |
|
Nb1 .258 .258 .258 .0037 .0037 .0037 .0001 .0001 .0001 |
|
Nb2 .758 .758 .258 .0037 .0037 .0037 .0001 .0001 .0001 |
|
O1 .243 .525 .309 .004 .002 .004 -.001 -.001 -.001 |
|
O2 .243 .025 .809 .004 .002 .004 -.001 -.001 -.001 |
|
O3 .743 .525 .809 .004 .002 .004 -.001 -.001 -.001 |
|
O4 .743 .025 .309 .004 .002 .004 -.001 -.001 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lueshite |
|
von der Muhll R, Sadel A, Hagenmuller P |
| |
Journal of Solid State Chemistry 51 (1984) 176-182 |
|
Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98Nb O3 |
|
Locality: synthetic |
|
Note: x(O3) corrected to match reported bond lengths |
|
5.494 15.461 5.551 90 90 90 Pc2_1b |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Li1 .2438 .1204 .7149 .02 .000166 .001339 .001866 .003620 .001885 .002971 |
|
Na1 .2438 .1204 .7149 .98 .008117 .001339 .001866 .003620 .001885 .002971 |
|
Li2 .2415 .3728 .7732 .02 .000166 .000837 .001947 .001648 0 0 |
|
Na2 .2415 .3728 .7732 .98 .008117 .000837 .001947 .001648 0 0 |
|
Nb1 .2565 0 .2232 .001988 .000397 .000325 .000206 -.000738 0 |
|
Nb2 .2540 .2502 .2292 .003976 .000314 .002840 0 .001967 0 |
|
O1 .459 .0054 .5506 .009111 .003660 .000811 .001472 0 .001748 |
|
O2 .0327 -.0132 -.0186 .013252 .003347 .006491 .000441 .009017 0 |
|
O3 -.0371 .2645 .0358 .001657 .000418 .000811 0 0 .000291 |
|
O4 .5364 .2299 .4603 .000828 .000105 .000811 0 -.000164 0 |
|
O5 .3124 -.1273 .2738 .006626 .000418 .000811 0 0 .000291 |
|
O6 .1871 .1229 .2649 .008283 .000209 .004868 0 0 0 |
|
|
| 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.
