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Na(NaMg)Mg5Si8O22(OH)2 |
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Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
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American Mineralogist 90 (2004) 695-700 |
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Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
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amphibole Na(NaMg)Mg5Si8O22(OH)2 |
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Sample: T = 298 K |
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_database_code_amcsd 0003767 |
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9.71887 17.93853 5.26923 90 102.526 90 P2_1/m |
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atom x y z occ Uiso |
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NaA .26338 .25 .07195 .83 .0389 |
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MgA .26338 .25 .07195 .07 .0389 |
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Mg1 -.24026 .33930 .49828 .0111 |
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Mg2 -.25348 .43071 .98116 .0111 |
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Mg3 -.25237 .25 .97893 .0111 |
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Mg4 -.25268 .50848 .48420 .37 .0111 |
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Na4 -.25268 .50848 .48420 .31 .0111 |
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Mg4’ -.26475 .52501 .49913 .16 .0111 |
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Na4’ -.26475 .52501 .49913 .13 .0111 |
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Si1A .03422 .33480 .25975 .00243 |
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Si1B .53040 .83483 .29506 .00243 |
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Si2A .03285 .42143 .77063 .00243 |
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Si2B .54682 .91992 .80318 .00243 |
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O1A -.13689 .33642 .19974 .00545 |
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O1B .36433 .83681 .21721 .00545 |
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O2A -.13270 .42159 .70449 .00545 |
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O2B .37237 .92224 .74352 .00545 |
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O3A -.14897 .25 .69317 .00545 |
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O3B .35927 .75 .72024 .00545 |
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O4A .11586 .50067 .79981 .00545 |
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O4B .63000 .99316 .76836 .00545 |
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O5A .09732 .36704 .02195 .00545 |
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O5B .59913 .88482 .09577 .00545 |
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O6A .09833 .37993 .53135 .00545 |
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O6B .59665 .85784 .60458 .00545 |
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O7A .08949 .25 .30087 .00545 |
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O7B .58745 .75 .26427 .00545 |
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H1 -.04703 .25 .75663 .71 .0389 |
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D1 -.04703 .25 .75663 .29 .0389 |
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H2 .53670 .25 .21170 .66 .0389 |
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D2 .53670 .25 .21170 .34 .0389 |
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| 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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Na(NaMg)Mg5Si8O22(OH)2 |
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Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
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American Mineralogist 90 (2004) 695-700 |
|
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
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amphibole Na(NaMg)Mg5Si8O22(OH)2 |
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Sample: T = 8 K |
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_database_code_amcsd 0003768 |
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9.70169 17.89537 5.25744 90 102.597 90 P2_1/m |
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atom x y z occ Uiso |
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NaA .26461 .25 .06038 .83 .00688 |
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MgA .26461 .25 .06038 .07 .00688 |
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Mg1 -.24280 .33860 .48952 .00688 |
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Mg2 -.25451 .43158 .97520 .00688 |
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Mg3 -.25442 .25 .95277 .00688 |
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Mg4 -.24565 .50741 .48160 .37 .00688 |
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Na4 -.24565 .50741 .48160 .31 .00688 |
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Mg4’ -.27291 .52696 .50151 .16 .00688 |
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Na4’ -.27291 .52696 .50151 .13 .00688 |
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Si1A .03609 .33535 .25812 .00328 |
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Si1B .53071 .83565 .30186 .00328 |
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Si2A .03892 .42099 .76004 .00328 |
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Si2B .54552 .91791 .80965 .00328 |
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O1A -.13735 .33691 .19646 .00357 |
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O1B .36675 .83608 .22068 .00357 |
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O2A -.13335 .42242 .70321 .00357 |
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O2B .37525 .91974 .74919 .00357 |
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O3A -.15111 .25 .70244 .00357 |
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O3B .35997 .75 .71712 .00357 |
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O4A .11908 .49933 .80839 .00357 |
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O4B .63160 .99345 .77154 .00357 |
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O5A .09694 .36393 .01295 .00357 |
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O5B .60373 .88605 .10438 .00357 |
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O6A .09837 .38166 .52814 .00357 |
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O6B .59421 .85628 .61049 .00357 |
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O7A .08616 .25 .30292 .00357 |
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O7B .58935 .75 .26556 .00357 |
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H1 -.04591 .25 .75809 .71 .00688 |
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D1 -.04591 .25 .75809 .29 .00688 |
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H2 .53612 .25 .21111 .66 .00688 |
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D2 .53612 .25 .21111 .34 .00688 |
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| 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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Vishnevite |
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Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M |
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American Mineralogist 92 (2007) 713-721 |
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Single-crystal FTIR and X-ray study of vishnevite, ideally |
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[Na6(SO4)][Na2(H2O)2](Si6Al6O24) |
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Locality: Latium, Italy |
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Sample: Pi4 |
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_database_code_amcsd 0004320 |
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12.7228 12.7228 5.1980 90 90 120 P6_3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 2/3 1/3 .1333 .83 .034 .019 .019 .064 .010 0 0 |
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Na2 .1141 .2258 .2940 .35 .024 .017 .039 .023 .020 -.004 -.005 |
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K .1458 .2894 .2893 .43 .042 .038 .065 .032 .034 -.003 -.006 |
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Al .3384 .4144 .7570 .009 .009 .010 .008 .006 .000 .001 |
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Si .0834 .4134 .7562 .008 .008 .009 .008 .005 .000 .001 |
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S 0 0 .2918 .29 .045 .040 .040 .057 .020 0 0 |
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O1 .2019 .4044 .6799 .017 .010 .026 .018 .011 .002 .000 |
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O2 .1192 .5535 .7332 .023 .022 .014 .035 .011 .006 .004 |
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O3 .0386 .3599 .0419 .018 .014 .027 .011 .011 .002 .004 |
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O4 .3279 .3527 .0597 .017 .021 .024 .011 .015 -.001 .005 |
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O51 .0615 .1133 .6725 .22 .150 |
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O52 .0496 .1090 .9541 .25 .139 |
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O6 .6184 .3043 .6893 .33 .062 |
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O7 0 0 .0737 .22 .068 |
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| 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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