|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 .006 .311 .051 |
|
KC3 .539 .5 .006 .125 .051 |
|
MgC3 .539 .5 .006 .011 .051 |
|
CaC3 .539 .5 .006 .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 (permalink) |
| |
|
Barrerite |
|
Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G, |
|
Ciambelli P, Rapascciuolo M T |
| |
European Journal of Mineralogy 12 (2000) 1123-1129 |
|
Single crystal neutron diffraction study of the natural zeolite barrerite |
|
in its ND4-exchanged form |
|
_database_code_amcsd 0006847 |
|
13.601 18.232 17.810 90 90 90 Fmmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .3856 .3077 .3761 .7915 .027 .036 .040 0 -.002 -.002 |
|
AlT1 .3856 .3077 .3761 .2085 .027 .036 .040 0 -.002 -.002 |
|
SiT3 .3010 .4107 .5 .7915 .028 .035 .040 -.003 0 0 |
|
AlT3 .3010 .4107 .5 .2085 .028 .035 .040 -.003 0 0 |
|
SiT4 .3882 .1840 .5 .7915 .024 .037 .036 .006 0 0 |
|
AlT4 .3882 .1840 .5 .2085 .024 .037 .036 .006 0 0 |
|
SiT5 .25 .25 .25 .7915 .020 .057 .029 0 0 0 |
|
AlT5 .25 .25 .25 .2085 .020 .057 .029 0 0 0 |
|
O1 .3176 .3042 .3013 .046 .063 .055 -.011 -.015 .017 |
|
O3 .3720 .2318 .4256 .041 .063 .058 -.009 -.008 .021 |
|
O4 .3563 .3799 .4247 .064 .059 .070 -.009 .024 -.020 |
|
O7 .5 .3162 .3489 .032 .058 .061 0 0 -.003 |
|
O8 .3153 .1138 .5 .033 .043 .075 -.005 0 0 |
|
O9 .3093 .5 .5 .047 .037 .075 0 0 0 |
|
O10 .5 .1506 .5 .023 .056 .054 0 0 0 |
|
Wat1 .461 .122 .306 .21 .062 |
|
Wat2 .5 .130 .307 .25 .036 |
|
Wat3 .474 0 .431 .34 .14 |
|
Wat4 .405 0 .386 .26 .11 |
|
Wat6 .389 0 .319 .19 .07 |
|
Wat8 .5 .5 .372 .058 .049 .13 0 0 0 |
|
Wat11 .398 .094 .316 .15 .08 |
|
NaC1 .5 0 .291 .10625 .03 |
|
KC1 .5 0 .291 .03 .03 |
|
MgC1 .5 0 .291 .0475 .03 |
|
CaC1 .5 0 .291 .1625 .03 |
|
BaC1 .5 0 .291 .0025 .03 |
|
NH4C2 .291 .058 .292 .00875 .13 |
|
ND42 .5 .090 .273 .12 .19 |
|
ND43 .337 .028 .234 .11 .12 |
|
ND44 .338 .068 .331 .15 .09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Barrerite |
|
Sacerdoti M, Sani A, Vezzalini G |
| |
Microporous and Mesoporous Materials 30 (1999) 103-109 |
|
Structural refinement of two barrerites from Alaska |
|
Note: sample 1 |
|
Locality: Kuiu Island, Alaska, USA |
|
_database_code_amcsd 0014404 |
|
13.598 18.177 17.790 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 .0439 .52 .088 |
|
CaC1p .25 0 .4569 .56 .054 |
|
NaC2 .033 .064 .034 .30 .167 |
|
KC2p .077 .072 .447 .216 .161 |
|
NaC2p .077 .072 .447 .124 .161 |
|
NaC3 .162 0 .246 .13 .085 |
|
SiT1 .13546 .30410 .12498 .7792 .0134 |
|
AlT1 .13546 .30410 .12498 .2208 .0134 |
|
SiT1p .13613 .31174 .37241 .7792 .0142 |
|
AlT1p .13613 .31174 .37241 .2208 .0142 |
|
SiT3 .05102 .41097 .24369 .7792 .0140 |
|
AlT3 .05102 .41097 .24369 .2208 .0140 |
|
SiT4 .13870 .18434 .25369 .7792 .0127 |
|
AlT4 .13870 .18434 .25369 .2208 .0127 |
|
SiT5 0 .24037 0 .7792 .0166 |
|
AlT5 0 .24037 0 .2208 .0166 |
|
O1 .0706 .2950 .0488 .033 |
|
O1p .0648 .3136 .4469 .0300 |
|
O3 .1202 .2330 .1793 .033 |
|
O3p .1245 .2331 .3292 .0277 |
|
O4 .1036 .3801 .1666 .033 |
|
O4p .1085 .3807 .3181 .034 |
|
O7 .25 .3113 .0984 .030 |
|
O7p .25 .3224 .4011 .025 |
|
O8 .0658 .1139 .2546 .028 |
|
O9 .0549 .5 .2431 .031 |
|
O10 .25 .1506 .2521 .0228 |
|
Wat1 .222 .123 .058 .51 .078 |
|
Wat1p .167 .108 .444 .28 .102 |
|
Wat2p .25 .127 .448 .58 .076 |
|
Wat3 .192 0 .176 .29 .091 |
|
Wat3p .229 0 .327 .24 .038 |
|
Wat4 .123 0 .117 .56 .296 |
|
Wat4p .178 0 .323 .42 .132 |
|
Wat5 .178 .5 .078 .28 .042 |
|
Wat5p .211 .5 .405 .19 .060 |
|
Wat6 .107 .5 .066 .46 .076 |
|
Wat6p .122 .5 .443 .48 .107 |
|
Wat8 .25 .5 .098 .40 .068 |
|
Wat8p .25 .5 .357 .61 .021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Barrerite |
|
Sacerdoti M, Sani A, Vezzalini G |
| |
Microporous and Mesoporous Materials 30 (1999) 103-109 |
|
Structural refinement of two barrerites from Alaska |
|
Note: sample 3 |
|
Locality: Kuiu Island, Alaska, USA |
|
_database_code_amcsd 0014405 |
|
13.586 18.184 17.812 90 90 90 Amma |
|
atom x y z occ Uiso |
|
NaC1 .25 0 .0475 .23 .035 |
|
CaC1p .25 0 .4564 .97 .053 |
|
NaC2 .035 .068 .035 .12 .053 |
|
KC2p .103 .089 .444 .42 .160 |
|
NaC2p .103 .089 .444 .42 .160 |
|
NaC3 .155 0 .250 .20 .132 |
|
SiT1 .13522 .30239 .12446 .7792 .0112 |
|
AlT1 .13522 .30239 .12446 .2208 .0112 |
|
SiT1p .13671 .31363 .37182 .7792 .0117 |
|
AlT1p .13671 .31363 .37182 .2208 .0117 |
|
SiT3 .05197 .41066 .24084 .7792 .0123 |
|
AlT3 .05197 .41066 .24084 .2208 .0123 |
|
SiT4 .13828 .18534 .25519 .7792 .0112 |
|
AlT4 .13828 .18534 .25519 .2208 .0112 |
|
SiT5 0 .23602 0 .7792 .0137 |
|
AlT5 0 .23602 0 .2208 .0137 |
|
O1 .0734 .2907 .0481 .0289 |
|
O1p .0648 .3189 .4444 .0253 |
|
O3 .1174 .2348 .1815 .0329 |
|
O3p .1257 .2333 .3317 .0247 |
|
O4 .1027 .3799 .1624 .0305 |
|
O4p .1122 .3807 .3151 .0305 |
|
O7 .25 .3076 .0996 .0352 |
|
O7p .25 .3245 .4019 .0230 |
|
O8 .0658 .1151 .2570 .0295 |
|
O9 .0564 .5 .2387 .0306 |
|
O10 .25 .1520 .2523 .0259 |
|
Wat1 .206 .118 .061 .18 .044 |
|
Wat1p .192 .118 .446 .22 .051 |
|
Wat2 .25 .1255 .0587 .63 .074 |
|
Wat2p .25 .132 .448 .30 .052 |
|
Wat3 .190 0 .177 .28 .078 |
|
Wat3p .25 0 .325 .32 .041 |
|
Wat4 .123 0 .135 .52 .158 |
|
Wat4p .195 0 .325 .34 .054 |
|
Wat5 .178 .5 .077 .28 .055 |
|
Wat5p .178 .5 .413 .10 .052 |
|
Wat6 .102 .5 .066 .71 .112 |
|
Wat6p .108 .5 .453 .92 .166 |
|
Wat8 .25 .5 .086 .12 .048 |
|
Wat8p .25 .5 .3526 .10 .0184 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 