|
Offretite |
 |
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
 |
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Mt. Semiol |
|
_database_code_amcsd 0002005 |
|
13.293 13.293 7.608 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 -.0004 .2308 .2067 .71 .028 |
|
Al1 -.0004 .2308 .2067 .29 .028 |
|
Si2 .0919 .4210 .5 .71 .030 |
|
Al2 .0919 .4210 .5 .29 .030 |
|
Ca1 2/3 1/3 .353 .43 .067 |
|
Ca2 2/3 1/3 .245 .27 .052 |
|
K 0 0 .5 .040 |
|
Mg 1/3 2/3 0 .026 |
|
O1 .0267 .3476 .3188 .030 |
|
O2 .0942 .9056 .2340 .016 |
|
O3 .8849 .1151 .2807 .026 |
|
O4 .0093 .2722 0 .032 |
|
O5 .2271 .7729 .5 .010 |
|
O6 .4545 .5455 .5 .051 |
|
Wat1 1/3 2/3 .2587 .043 |
|
Wat2 .2437 .7563 0 .80 .041 |
|
Wat3 .1740 .4957 0 .30 .060 |
|
Wat4 .7579 .2421 .5 .058 |
|
Wat5 -.4357 .4357 .1713 .35 .042 |
|
Wat5b -.4820 .4820 .1231 .37 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Offretite |
|
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample #1 from Fitta |
|
_database_code_amcsd 0002006 |
|
13.390 13.390 7.598 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 -.0014 .2321 .2087 .70 .039 |
|
Al1 -.0014 .2321 .2087 .30 .039 |
|
Si2 .0884 .4231 .5 .70 .020 |
|
Al2 .0884 .4231 .5 .30 .020 |
|
Ca1 2/3 1/3 .4021 .40 .042 |
|
Ca2 2/3 1/3 .2664 .36 .048 |
|
K 0 0 .5 .96 .051 |
|
Mg 1/3 2/3 0 .97 .043 |
|
O1 .0260 .3494 .3160 .020 |
|
O2 .0962 .9037 .2500 .028 |
|
O3 .8734 .1265 .2926 .066 |
|
O4 .0052 .2644 0 .022 |
|
O5 .2331 .7668 .5 .026 |
|
O6 .4602 .5397 .5 .037 |
|
Wat1 1/3 2/3 .2335 .120 |
|
Wat2 .2432 .7568 0 .81 .063 |
|
Wat3 .1350 .5104 0 .26 .060 |
|
Wat4 .7663 .2337 .5 .85 .056 |
|
Wat5 -.4325 .4325 .1682 .062 |
|
Wat6 -.2539 .2539 0 .32 .060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Offretite |
|
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample #2 from Fitta |
|
_database_code_amcsd 0002007 |
|
13.308 13.308 7.597 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 .0006 .2317 .2048 .70 .039 |
|
Al1 .0006 .2317 .2048 .30 .039 |
|
Si2 .0921 .4227 .5 .70 .026 |
|
Al2 .0921 .4227 .5 .30 .026 |
|
Ca1 2/3 1/3 .3876 .43 .041 |
|
Ca2 2/3 1/3 .2438 .32 .033 |
|
K 0 0 .5 .89 .018 |
|
Mg 1/3 2/3 0 .86 .030 |
|
O1 .0208 .3479 .3173 .020 |
|
O2 .0957 .9043 .2686 .091 |
|
O3 .8761 .1239 .2900 .089 |
|
O4 .0019 .2691 0 .049 |
|
O5 .2287 .7713 .5 .067 |
|
O6 .457 .543 .5 .019 |
|
Wat1 1/3 2/3 .2335 .120 |
|
Wat2 .2424 .7576 0 .65 .020 |
|
Wat3 .1129 .4602 0 .55 .039 |
|
Wat4 .7564 .2436 .5 .94 .044 |
|
Wat5 -.4363 .4363 .1603 .13 |
|
|
| 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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