American Mineralogist Crystal Structure Database

3 matching records for this search.

Mutinaite
 
van Koningsveld H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=46&spage=731
Acta Crystallographica B46 (1990) 731-735
High-temperature (350 K) orthorhombic framework structure of zeolite H-ZSM-5
Locality: synthetic
Note: anisotropic thermal parameters obtained from ICSD
_database_code_amcsd 0009842
20.078 19.894 13.372 90 90 90 Pnma
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .42292 .05678 .66492  .0130  .0140  .0179  .0011 -.0016 -.0003
Si2  .30840 .02897 .81293  .0166  .0166  .0180 -.0001  .0041 -.0003
Si3  .27919 .06191 .03257  .0170  .0159  .0178  .0014 -.0007 -.0043
Si4  .12228 .06397 .02834  .0164  .0146  .0143  .0000  .0012 -.0015
Si5  .07168 .02825 .81584  .0127  .0134  .0152 -.0010  .0025 -.0006
Si6  .18703 .05906 .67398  .0161  .0160  .0182  .0001  .0050  .0039
Si7  .42346 .82787 .67664  .0133  .0106  .0183  .0010  .0019  .0012
Si8  .30861 .87080 .81794  .0175  .0153  .0161 -.0005  .0026 -.0009
Si9  .27417 .82731 .03341  .0168  .0099  .0166 -.0018 -.0005 -.0001
Si10 .11963 .82675 .02992  .0172  .0112  .0168  .0019 -.0004  .0005
Si11 .07045 .87019 .81795  .0126  .0146  .0178  .0006 -.0007  .0017
Si12 .18803 .82715 .68326  .0178  .0131  .0189 -.0008  .0034 -.0017
O1    .3725  .0555 -.2437   .024   .065   .044  -.009   .017  -.003
O2    .3093  .0594 -.0776   .044   .046   .022  -.008   .008  -.009
O3    .2007  .0595  .0284   .017   .070   .074   .002   .001  -.013
O4    .0953  .0633 -.0831   .063   .032   .024  -.005  -.013  -.002
O5    .1160  .0541 -.2747   .022   .050   .028  -.001   .011   .017
O6    .2433  .0533 -.2435   .030   .072   .041   .011  -.009   .006
O7    .3741 -.1566 -.2335   .028   .063   .034   .009   .014  -.004
O8    .3085 -.1559 -.0699   .038   .062   .026   .003   .009   .016
O9    .1969 -.1545  .0271   .018   .031   .063   .000   .003   .005
O10   .0887 -.1629 -.0781   .057   .048   .034  -.007  -.017   .019
O11   .1176 -.1576 -.2672   .025   .051   .047   .007   .011  -.014
O12   .2448 -.1556 -.2388   .027   .075   .050  -.010  -.010  -.008
O13   .3087 -.0499 -.1822   .111   .015   .072   .002   .002   .000
O14   .0786 -.0510 -.1728   .050   .015   .063   .003  -.004   .001
O15   .4175  .1269 -.3908   .046   .016   .052   .002  -.023   .011
O16   .4079 -.0021 -.4120   .065   .026   .038  -.003  -.015  -.008
O17   .4006 -.1329 -.4221   .057   .021   .028   .004  -.011   .009
O18   .1913  .1302 -.3801   .046   .021   .037  -.001   .013   .008
O19   .1944  .0004 -.4062   .064   .028   .046   .008   .004  -.013
O20   .1965 -.1297 -.4158   .072   .022   .031  -.010   .013   .009
O21  -.0035  .0490 -.2077   .016   .043   .032   .007   .002   .000
O22  -.0045 -.1490 -.2104   .019   .052   .031  -.008   .001   .001
O23   .4227   -.25 -.3491   .062   .010   .040      0  -.004      0
O24   .1924   -.25 -.3480   .051   .014   .037      0   .015      0
O25   .2841   -.25  .0596   .039   .012   .034      0  -.009      0
O26   .1100   -.25  .0620   .044   .012   .027      0   .001      0
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Mutinaite
 
Taylor J C, Miller S A, Bibby D M
Download zk/vol176/ZK176_183.pdf
Zeitschrift fur Kristallographie 176 (1986) 183-192
A study of decomposition methods for refinement of H+-ZSM5 zeolite
with powder diffraction data
Locality: synthetic
Note: dehydrated mutinaite
_database_code_amcsd 0010960
20.108 19.918 13.392 90 90 90 Pnma
atom      x      y      z Biso
Si1   .4264  .0581 -.3396  1.2
Si2   .3096  .0297 -.1814  1.2
Si3   .2755  .0603  .0350  1.2
Si4   .1198  .0617  .0287  1.2
Si5   .0699  .0253 -.1862  1.2
Si6   .1884  .0593 -.3273  1.2
Si7   .4263 -.1707 -.3284  1.2
Si8   .3138 -.1280 -.1759  1.2
Si9   .2697 -.1752  .0366  1.2
Si10  .1186 -.1744  .0356  1.2
Si11  .0728 -.1288 -.1786  1.2
Si12  .1929 -.1734 -.3098  1.2
O1    .3733  .0565 -.2449  2.2
O2    .3090  .0604 -.0728  2.2
O3    .1977  .0488  .0212  2.2
O4    .0949  .0589 -.0850  2.2
O5    .1208  .0560 -.2668  2.2
O6    .2421  .0569 -.2405  2.2
O7    .3777 -.1534 -.2264  2.2
O8    .3076 -.1623 -.0720  2.2
O9    .1933 -.1568  .0359  2.2
O10   .0926 -.1579 -.0743  2.2
O11   .1241 -.1531 -.2635  2.2
O12   .2498 -.1554 -.2356  2.2
O13   .2994 -.0495 -.1728  2.2
O14   .0804 -.0525 -.1670  2.2
O15   .4207  .1275 -.3816  2.2
O16   .4050  .0018 -.4180  2.2
O17   .3974 -.1315 -.4268  2.2
O18   .1893  .1288 -.3762  2.2
O19   .2001 -.0003 -.4029  2.2
O20   .2016 -.1277 -.4119  2.2
O21  -.0038  .0463 -.2139  2.2
O22  -.0004 -.1504 -.2077  2.2
O23   .4237   -.25 -.3436  2.2
O24   .2001   -.25 -.3293  2.2
O25   .2749   -.25  .0657  2.2
O26   .1048   -.25  .0579  2.2
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Mutinaite
 
Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A
 
Zeolites 19 (1997) 323-325
Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Note: reported occupancies do not match reported chemistry
_database_code_amcsd 0015873
20.201 19.991 13.469 90 90 90 Pnma
atom      x      y      z  occ Uiso
Si1   .4254  .0571  .6788 .883 .018
Al1   .4254  .0571  .6788 .117 .018
Si2   .3177  .0298  .8333 .883 .022
Al2   .3177  .0298  .8333 .117 .022
Si3   .2783  .0626  .0495 .883 .023
Al3   .2783  .0626  .0495 .117 .023
Si4   .1226  .0629  .0443 .883 .018
Al4   .1226  .0629  .0443 .117 .018
Si5   .0757  .0299  .8312 .883 .016
Al5   .0757  .0299  .8312 .117 .016
Si6   .1964  .0583  .6936 .883 .021
Al6   .1964  .0583  .6936 .117 .021
Si7   .4277  .8292  .6911 .883 .018
Al7   .4277  .8292  .6911 .117 .018
Si8   .3177  .8718  .8369 .883 .020
Al8   .3177  .8718  .8369 .117 .020
Si9   .2712  .8274  .0452 .883 .019
Al9   .2712  .8274  .0452 .117 .019
Si10  .1175  .8269  .0393 .883 .018
Al10  .1175  .8269  .0393 .117 .018
Si11  .0739  .8716  .8304 .883 .019
Al11  .0739  .8716  .8304 .117 .019
Si12  .1973  .8274  .7041 .883 .020
Al12  .1973  .8274  .7041 .117 .020
O1    .3865  .0561  .7848      .043
O2    .3176  .0617 -.0559      .044
O3    .2018  .0604  .0292      .054
O4    .0882  .0621 -.0641      .051
O5    .1266  .0597  .7506      .046
O6    .2560  .0572  .7697      .063
O7    .3850  .8438  .7906      .040
O8    .3146  .8435 -.0545      .052
O9    .1941  .8451  .0283      .034
O10   .0808  .8404 -.0629      .050
O11   .1273  .8400  .7553      .057
O12   .2553  .8489  .7716      .059
O13   .3182 -.0493   .838      .103
O14   .0837 -.0503  .8367      .057
O15   .4146  .1297  .6267      .046
O16   .4011 -.0006  .6084      .048
O17   .3992  .8669  .5960      .040
O18   .1986  .1303  .6354      .050
O19   .1985 -.0008  .6143      .059
O20   .1999  .8687  .6000      .052
O21   .0030  .0500  .7937      .035
O22   .0026  .8521  .7847      .035
O23   .4272    .75   .666      .048
O24   .2031    .75   .675      .061
O25   .2811    .75   .077      .041
O26   .1082    .75   .070      .031
Ca    .4840    .25   .923  .21 .023
CaX1   .458   .035   .091 .016 .072
NaX1   .458   .035   .091 .015 .072
WatX1  .458   .035   .091 .299 .072
CaX2   .070    .25   .459 .047 .082
NaX2   .070    .25   .459 .044 .082
WatX2  .070    .25   .459 .889 .082
CaX3   .457    .25   .113 .025 .051
NaX3   .457    .25   .113 .024 .051
WatX3  .457    .25   .113 .481 .051
CaX4   .191    .25   .010 .022 .111
NaX4   .191    .25   .010 .021 .111
WatX4  .191    .25   .010 .417 .111
CaX5   .047   .163   .648 .034 .176
NaX5   .047   .163   .648 .032 .176
WatX5  .047   .163   .648 .644 .176
CaX7   .060   .056   .519 .019 .219
NaX6   .060   .056   .519 .017 .219
WatX6  .060   .056   .519 .354 .219
CaX7   .010   .059   .400 .016 .099
NaX7   .010   .059   .400 .015 .099
WatX7  .010   .059   .400 .299 .099
CaX8   .419   .154   .955 .020 .121
NaX8   .419   .154   .955 .019 .121
WatX8  .419   .154   .955 .381 .121
CaX9   .999   .138   .424 .010 .100
NaX9   .999   .138   .424 .009 .100
WatX9  .999   .138   .424 .191 .100
CaX10  .486   .076   .904 .011 .093
NaX10  .486   .076   .904 .010 .093
WatX10 .486   .076   .904 .199 .093
CaX11  .291    .25   .949 .010 .031
NaX11  .291    .25   .949 .009 .031
WatX11 .291    .25   .949 .181 .031
CaX12  .435   .183   .038 .010 .041
NaX12  .435   .183   .038 .009 .041
WatX12 .435   .183   .038 .191 .041
CaX13  .425    .25   .818 .015 .166
NaX13  .425    .25   .818 .014 .166
WatX13 .425    .25   .818 .281 .166
CaX14  .157    .25   .786 .024 .174
NaX14  .157    .25   .786 .022 .174
WatX14 .157    .25   .786 .444 .174
CaX15  .278   .218   .818 .016 .087
NaX15  .278   .218   .818 .015 .087
WatX15 .278   .218   .818 .309 .087
CaX16  .058   .220   .922 .014 .125
NaX16  .058   .220   .922 .014 .125
WatX16 .058   .220   .922 .272 .125
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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