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Buddingtonite |
 |
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
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Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
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[N(D/H)4AlSi3O8] from neutron powder diffraction |
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Sample: T = 11 K |
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_database_code_amcsd 0008919 |
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8.79182 13.11084 7.20473 90 116.097 90 C2/m |
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atom x y z occ Uiso |
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N .2903 0 .1424 .01452 |
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D1 .4147 .0190 .2066 .5 .03999 |
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D2 .2614 -.0311 .2518 .5 .03999 |
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D3 .2659 -.0513 .0275 .5 .03999 |
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D4 .2191 .0634 .0838 .5 .03999 |
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Al1 .7070 .1179 .3447 .25 .00056 |
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Si1 .7070 .1179 .3447 .75 .00056 |
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Al2 .0167 .1881 .2347 .25 .00243 |
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Si2 .0167 .1881 .2347 .75 .00243 |
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O1 0 .1580 0 -.00506 |
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O2 .6607 0 .2950 -.00506 |
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O3 .8274 .1587 .2252 -.00506 |
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O4 .0399 .3123 .2624 -.00506 |
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O5 .1713 .1260 .4071 -.00506 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
|
Buddingtonite |
|
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
| |
Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
|
[N(D/H)4AlSi3O8] from neutron powder diffraction |
|
Sample: T = 210 K |
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_database_code_amcsd 0008920 |
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8.81611 13.09609 7.20155 90 116.121 90 C2/m |
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atom x y z occ Uiso |
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N .2949 0 .1473 .02367 |
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D1 .4155 .0198 .2159 .5 .07414 |
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D2 .2629 -.0317 .2497 .5 .07414 |
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D3 .2765 -.0495 .0354 .5 .07414 |
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D4 .2247 .0614 .0879 .5 .07414 |
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Al1 .7062 .1176 .3456 .25 -.00168 |
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Si1 .7062 .1176 .3456 .75 -.00168 |
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Al2 .0213 .1931 .2373 .25 .00965 |
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Si2 .0213 .1931 .2373 .75 .00965 |
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O1 0 .1584 0 -.00129 |
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O2 .6625 0 .2928 -.00129 |
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O3 .8267 .1583 .2245 -.00129 |
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O4 .0419 .3120 .2631 -.00129 |
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O5 .1695 .1264 .4086 -.00129 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Buddingtonite |
|
Mookherjee M, Redfern S A T, Swainson I, Harlov D E |
| |
Physics and Chemistry of Minerals 31 (2004) 643-649 |
|
Low-temperature behaviour of ammonium ion in buddingtonite |
|
[N(D/H)4AlSi3O8] from neutron powder diffraction |
|
Sample: T = 280 K |
|
_database_code_amcsd 0008921 |
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8.83157 13.08541 7.20024 90 116.147 90 C2/m |
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atom x y z occ Uiso |
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N .2955 0 .1486 .03027 |
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D1 .4170 .0200 .2186 .5 .09924 |
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D2 .2647 -.0360 .2492 .5 .09924 |
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D3 .2762 -.0465 .0303 .5 .09924 |
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D4 .2244 .0625 .0961 .5 .09924 |
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Al1 .7065 .1192 .3474 .25 .01270 |
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Si1 .7065 .1192 .3474 .75 .01270 |
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Al2 .0222 .1936 .2365 .25 .01079 |
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Si2 .0222 .1936 .2365 .75 .01079 |
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O1 0 .1584 0 .00317 |
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O2 .6652 0 .2898 .00317 |
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O3 .8265 .1580 .2236 .00317 |
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O4 .0418 .3123 .2631 .00317 |
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O5 .1697 .1270 .4096 .00317 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
