|
Stellerite |
 |
Arletti R, Mazzucato E, Vezzalini G |
 |
American Mineralogist 91 (2006) 628-634 |
|
Influence of dehydration kinetics on T-O-T bridge breaking |
|
in zeolites with framework type STI: The case of stellerite |
|
Locality: Seremida, Sardinia, Italy |
|
Sample: T = 302 K |
|
Note: occupancies invented to match formula |
|
_database_code_amcsd 0004140 |
|
13.5947 18.1823 17.8335 90 90 90 Fmmm |
|
atom x y z occ Uiso |
|
Ca .5 .0 .2920 .78 .042 |
|
Na .5 .0 .2920 .10 .042 |
|
K .5 .0 .2920 .01 .042 |
|
SiT1 .3847 .3068 .3787 .88 .0337 |
|
AlT1 .3847 .3068 .3787 .22 .0337 |
|
SiT3 .3034 .4114 .5 .88 .0337 |
|
AlT3 .3034 .4114 .5 .22 .0337 |
|
SiT4 .3859 .1832 .5 .88 .0337 |
|
AlT4 .3859 .1832 .5 .22 .0337 |
|
SiT5 .25 .25 .25 .88 .0337 |
|
AlT5 .25 .25 .25 .22 .0337 |
|
O1 .3151 .3094 .2995 .043 |
|
O3 .3716 .2353 .4265 .043 |
|
O4 .3548 .3804 .4205 .043 |
|
O7 .5 .3164 .3532 .043 |
|
O8 .3179 .1121 .5 .043 |
|
O9 .311 .5 .5 .043 |
|
O10 .5 .148 .5 .043 |
|
Wat1 .401 .117 .307 .27 .091 |
|
Wat2 .5 .131 .302 .84 .091 |
|
Wat3 .460 .0 .419 .46 .091 |
|
Wat4 .349 .071 .330 .30 .091 |
|
Wat5 .420 .5 .336 .64 .091 |
|
Wat7 .315 .053 .246 .27 .091 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stellerite |
|
Arletti R, Mazzucato E, Vezzalini G |
|
American Mineralogist 91 (2006) 628-634 |
|
Influence of dehydration kinetics on T-O-T bridge breaking |
|
in zeolites with framework type STI: The case of stellerite |
|
Locality: Seremida, Sardinia, Italy |
|
Sample: T = 503 K |
|
Note: occupancies invented to match formula |
|
_database_code_amcsd 0004141 |
|
13.6629 17.6064 17.3629 90 90 90 Amma |
|
atom x y z occ Uiso |
|
Ca1 .25 .179 .067 .13 .083 |
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Na1 .25 .179 .067 .02 .083 |
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Ca4 .25 .5 .171 .08 .083 |
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Na4 .25 .5 .171 .01 .083 |
|
Ca5 .080 .5 .093 .36 .083 |
|
Na5 .080 .5 .093 .04 .083 |
|
Ca6 .083 0 -.018 .20 .083 |
|
Na6 .083 0 -.018 .03 .083 |
|
SiT1 .1373 .3340 .1346 .88 .037 |
|
AlT1 .1373 .3340 .1346 .22 .037 |
|
SiT1P .1369 .2851 .3792 .88 .037 |
|
AlT1P .1369 .2851 .3792 .22 .037 |
|
SiT3 .0505 .4087 .2819 .88 .037 |
|
AlT3 .0505 .4087 .2819 .22 .037 |
|
SiT4 .1350 .1882 .2330 .88 .037 |
|
AlT4 .1350 .1882 .2330 .22 .037 |
|
SiT5 0 .2969 0 .88 .037 |
|
AlT5 0 .2969 0 .22 .037 |
|
O1 .066 .3577 .0588 .053 |
|
O1P .064 .2658 .4557 .053 |
|
O3 .127 .2447 .1580 .053 |
|
O3P .117 .2164 .3188 .053 |
|
O4 .100 .3927 .1956 .053 |
|
O4P .117 .3672 .3470 .053 |
|
O7 .25 .363 .103 .053 |
|
O7P .25 .287 .410 .053 |
|
O8 .0738 .1158 .212 .053 |
|
O9 .047 .5 .289 .053 |
|
O10 .25 .162 .231 .053 |
|
Wat1 .25 0 .343 .44 .132 |
|
Wat2 .25 .094 .431 .13 .132 |
|
Wat3 .25 .5 .410 .83 .132 |
|
Wat4 .25 0 .213 .44 .132 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stellerite |
|
Arletti R, Mazzucato E, Vezzalini G |
|
American Mineralogist 91 (2006) 628-634 |
|
Influence of dehydration kinetics on T-O-T bridge breaking |
|
in zeolites with framework type STI: The case of stellerite |
|
Locality: Seremida, Sardinia, Italy |
|
Sample: T = 740 K |
|
Note: occupancies invented to match formula |
|
_database_code_amcsd 0004142 |
|
13.5426 17.557 17.102 90 90 90 Amma |
|
atom x y z occ Uiso |
|
Ca1 .25 .243 .051 .40 .044 |
|
Na1 .25 .243 .051 .05 .044 |
|
Ca4 .25 .5 .187 .34 .044 |
|
Na4 .25 .5 .187 .04 .044 |
|
SiT1 .138 .334 .137 .55 .063 |
|
AlT1 .138 .334 .137 .07 .063 |
|
SiT1P .1348 .2745 .3762 .88 .063 |
|
AlT1P .1348 .2745 .3762 .22 .063 |
|
SiT3 .0551 .4134 .2873 .88 .063 |
|
AlT3 .0551 .4134 .2873 .22 .063 |
|
SiT4 .1337 .1751 .2243 .88 .063 |
|
AlT4 .1337 .1751 .2243 .22 .063 |
|
SiT5 0 .3091 0 .88 .063 |
|
AlT5 0 .3091 0 .22 .063 |
|
SiT1D .141 .4109 .116 .33 .063 |
|
AlT1D .141 .4109 .116 .05 .063 |
|
O1 .073 .363 .058 .084 |
|
O1P .072 .2482 .455 .084 |
|
O3 .128 .239 .152 .084 |
|
O3P .123 .210 .3107 .084 |
|
O4 .118 .396 .206 .084 |
|
O4P .110 .3577 .345 .084 |
|
O7 .25 .367 .100 .084 |
|
O7P .25 .272 .406 .084 |
|
O8 .071 .100 .214 .084 |
|
O9 .082 .5 .310 .084 |
|
O10 .25 .142 .221 .084 |
|
OD .139 .5 .097 .76 .084 |
|
Wat .25 0 .303 .61 .180 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Ori S, Mazzucato E, Vezzalini G |
| |
American Mineralogist 94 (2009) 64-73 |
|
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study |
|
Locality: Kuiu Island, Alaska |
|
Note: BAR-A, T = 339 K |
|
_database_code_amcsd 0004773 |
|
13.6336 18.2056 17.8445 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 .045 .135 .071 |
|
KC1 .25 0 .045 .054 .071 |
|
MgC1 .25 0 .045 .005 .071 |
|
CaC1 .25 0 .045 .034 .071 |
|
NaC1P .25 0 .463 .296 .071 |
|
KC1P .25 0 .463 .119 .071 |
|
MgC1P .25 0 .463 .010 .071 |
|
CaC1P .25 0 .463 .074 .071 |
|
NaC2 .048 .064 .004 .121 .071 |
|
KC2 .048 .064 .004 .049 .071 |
|
MgC2 .048 .064 .004 .004 .071 |
|
CaC2 .048 .064 .004 .030 .071 |
|
NaC2P .100 .078 .431 .193 .071 |
|
KC2P .100 .078 .431 .078 .071 |
|
MgC2P .100 .078 .431 .007 .071 |
|
CaC2P .100 .078 .431 .048 .071 |
|
NaC3 .193 0 .289 .147 .071 |
|
KC3 .193 0 .289 .058 .071 |
|
MgC3 .193 0 .289 .005 .071 |
|
CaC3 .193 0 .289 .036 .071 |
|
SiT1 .1354 .3066 .1264 .769 .046 |
|
AlT1 .1354 .3066 .1264 .231 .046 |
|
SiT1P .1340 .3092 .3748 .769 .046 |
|
AlT1P .1340 .3092 .3748 .231 .046 |
|
SiT3 .0512 .4112 .2459 .769 .046 |
|
AlT3 .0512 .4112 .2459 .231 .046 |
|
SiT4 .1400 .1845 .2490 .769 .046 |
|
AlT4 .1400 .1845 .2490 .231 .046 |
|
SiT5 0 .2388 0 .769 .046 |
|
AlT5 0 .2388 0 .231 .046 |
|
O1 .0722 .2921 .0486 .054 |
|
O1P .0716 .3181 .4537 .054 |
|
O3 .122 .2308 .1719 .054 |
|
O3P .126 .2363 .3229 .054 |
|
O4 .102 .3825 .1686 .054 |
|
O4P .103 .3753 .3195 .054 |
|
O7 .25 .310 .097 .054 |
|
O7P .25 .3226 .396 .054 |
|
O8 .0657 .1138 .246 .054 |
|
O9 .0525 .5 .240 .054 |
|
O10 .25 .1495 .254 .054 |
|
Wat1P .152 .155 .445 .40 .071 |
|
Wat2 .25 .124 .065 .73 .071 |
|
Wat2P .25 .129 .447 .36 .071 |
|
Wat3 .164 0 .164 .39 .071 |
|
Wat3P .25 0 .336 .40 .071 |
|
Wat4 .211 0 .056 .40 .071 |
|
Wat4P .071 0 .401 .25 .071 |
|
Wat5 .152 .5 .061 .31 .071 |
|
Wat6 .046 .5 -.035 .58 .071 |
|
Wat6P .402 .5 .426 .21 .071 |
|
Wat8 .25 .5 .096 .62 .071 |
|
Wat8P .25 .5 .380 .52 .071 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Ori S, Mazzucato E, Vezzalini G |
| |
American Mineralogist 94 (2009) 64-73 |
|
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study |
|
Locality: Kuiu Island, Alaska |
|
Note: BAR-A, T = 482 K |
|
_database_code_amcsd 0004774 |
|
13.6744 17.8937 17.5723 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 -.032 .227 .123 |
|
KC1 .25 0 -.032 .091 .123 |
|
MgC1 .25 0 -.032 .008 .123 |
|
CaC1 .25 0 -.032 .057 .123 |
|
NaC1P .25 0 .450 .108 .123 |
|
KC1P .25 0 .450 .044 .123 |
|
MgC1P .25 0 .450 .004 .123 |
|
CaC1P .25 0 .450 .027 .123 |
|
NaC2 .074 -.010 .088 .108 .123 |
|
KC2 .074 -.010 .088 .044 .123 |
|
MgC2 .074 -.010 .088 .004 .123 |
|
CaC2 .074 -.010 .088 .027 .123 |
|
NaC2P .083 .105 .468 .201 .123 |
|
KC2P .083 .105 .468 .081 .123 |
|
MgC2P .083 .105 .468 .007 .123 |
|
CaC2P .083 .105 .468 .050 .123 |
|
NaC3 .209 0 .233 .124 .123 |
|
KC3 .209 0 .233 .050 .123 |
|
MgC3 .209 0 .233 .004 .123 |
|
CaC3 .209 0 .233 .031 .123 |
|
NaCA 0 .039 0 .077 .123 |
|
KCA 0 .039 0 .031 .123 |
|
MgCA 0 .039 0 .003 .123 |
|
CaCA 0 .039 0 .019 .123 |
|
AlT1 .1362 .2920 .1230 .231 .049 |
|
SiT1 .1362 .2920 .1230 .769 .049 |
|
AlT1P .1335 .3248 .3696 .231 .049 |
|
SiT1P .1335 .3248 .3696 .769 .049 |
|
AlT3 .0472 .4095 .2298 .231 .049 |
|
SiT3 .0472 .4095 .2298 .769 .049 |
|
AlT4 .1403 .1867 .2643 .231 .049 |
|
SiT4 .1403 .1867 .2643 .769 .049 |
|
AlT5 0 .2156 0 .231 .049 |
|
SiT5 0 .2156 0 .769 .049 |
|
O1 .0723 .2733 .0462 .065 |
|
O1P .0690 .3396 .4477 .065 |
|
O3 .122 .2316 .1876 .065 |
|
O3P .132 .2419 .3351 .065 |
|
O4 .1083 .3735 .1577 .065 |
|
O4P .1013 .3865 .3092 .065 |
|
O7 .25 .3081 .0924 .065 |
|
O7P .25 .3422 .3884 .065 |
|
O8 .0685 .1178 .2719 .065 |
|
O9 .056 .5 .2173 .065 |
|
O10 .25 .1453 .2642 .065 |
|
Wat2 .25 .126 .095 .35 .123 |
|
Wat2P .25 .139 .432 .27 .123 |
|
Wat4P .291 0 .310 .32 .123 |
|
Wat5 .094 .5 .074 .80 .123 |
|
Wat8 .25 .5 .098 .35 .123 |
|
Wat8P .25 .5 .340 .93 .123 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Ori S, Mazzucato E, Vezzalini G |
| |
American Mineralogist 94 (2009) 64-73 |
|
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study |
|
Locality: Kuiu Island, Alaska |
|
Note: BAR-B, T = 637 K |
|
_database_code_amcsd 0004775 |
|
13.5502 17.1487 16.0919 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .549 .5 -.507 .210 .051 |
|
KC1 .549 .5 -.507 .084 .051 |
|
MgC1 .549 .5 -.507 .007 .051 |
|
CaC1 .549 .5 -.507 .053 .051 |
|
NaC2 .5 .525 -.5 .159 .051 |
|
KC2 .5 .525 -.5 .064 .051 |
|
MgC2 .5 .525 -.5 .006 .051 |
|
CaC2 .5 .525 -.5 .040 .051 |
|
NaC3 .539 .5 06 .311 .051 |
|
KC3 .539 .5 06 .125 .051 |
|
MgC3 .539 .5 06 .011 .051 |
|
CaC3 .539 .5 06 .078 .051 |
|
NaC4 .75 0 -.281 .383 .051 |
|
KC4 .75 0 -.281 .154 .051 |
|
MgC4 .75 0 -.281 .014 .051 |
|
CaC4 .75 0 -.281 .096 .051 |
|
NaC5 .634 .573 -.142 .058 .051 |
|
KC5 .634 .573 -.142 .023 .051 |
|
MgC5 .634 .573 -.142 .002 .051 |
|
CaC5 .634 .573 -.142 .015 .051 |
|
SiT1 .6480 .7823 -.1152 .338 .074 |
|
AlT1 .6480 .7823 -.1152 .102 .074 |
|
SiT1P .6384 .8604 -.3621 .769 .074 |
|
AlT1P .6384 .8604 -.3621 .231 .074 |
|
SiT3 .5391 .9095 -.1990 .769 .074 |
|
AlT3 .5391 .9095 -.1990 .231 .074 |
|
SiT4 .6484 .6926 -.2885 .400 .074 |
|
AlT4 .6484 .6926 -.2885 .120 .074 |
|
SiT5 .5 .8228 -.5 .769 .074 |
|
AlT5 .5 .8228 -.5 .231 .074 |
|
SiT1D .6330 .8179 -.0437 .431 .074 |
|
AlT1D .6330 .8179 -.0437 .129 .074 |
|
SiT4D .6540 .6730 -.3550 .369 .074 |
|
AlT4D .6540 .6730 -.3550 .111 .074 |
|
O1 .5666 .7382 -.0552 .097 |
|
O1P .5597 .8802 -.4367 .097 |
|
O3 .6720 .7377 -.2022 .48 .097 |
|
O3P .6286 .7657 -.3516 .097 |
|
O4 .5974 .8685 -.1241 .097 |
|
O4P .6140 .9060 -.2758 .097 |
|
O7 .75 .8020 -.0635 .097 |
|
O7P .75 .8968 -.3788 .097 |
|
O8 .5746 .6184 -.3069 .097 |
|
O9 .5393 0 -.1810 .097 |
|
O10 .75 .6425 -.3022 .097 |
|
OD .6553 .6483 -.4520 .50 .077 |
|
Wat1 .75 0 -.143 .23 .051 |
|
Wat2 .630 .5 -.206 .24 .051 |
|
Wat3 .622 .530 -.487 .14 .051 |
|
Wat4 .675 .5 -.102 .33 .051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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