American Mineralogist Crystal Structure Database

6 matching records for this search.

Barrerite
Download hom/barrerite.pdf
Ori S, Mazzucato E, Vezzalini G
Download am/vol94/AM94_64.pdf
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
Download hom/barrerite.pdf
Ori S, Mazzucato E, Vezzalini G
Download am/vol94/AM94_64.pdf
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
Download hom/barrerite.pdf
Ori S, Mazzucato E, Vezzalini G
Download am/vol94/AM94_64.pdf
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 (permalink)
 
Barrerite
Download hom/barrerite.pdf
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
Download hom/barrerite.pdf
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
Download hom/barrerite.pdf
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)
 
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Total number of retrieved datasets: 6
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