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Vishnevite |
 |
Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M |
| |
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) |
|
Na1 2/3 1/3 .1333 .83 .034 .019 .019 .064 .010 0 0 |
|
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 |
|
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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| |
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Gadolinite-(Y) |
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Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F |
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American Mineralogist 93 (2008) 996-1004 |
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The crystal chemistry of Li in gadolinite |
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Locality: Vico lake, Latium, Italy |
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_database_code_amcsd 0004599 |
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4.7708 7.6229 9.8975 90 90.017 90 P2_1/c |
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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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CaA .9958 .1068 .3309 .40 .009 .008 .009 .008 .001 -.001 .000 |
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YA .9958 .1068 .3309 .19 .009 .008 .009 .008 .001 -.001 .000 |
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LaA .9958 .1068 .3309 .03 .009 .008 .009 .008 .001 -.001 .000 |
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CeA .9958 .1068 .3309 .12 .009 .008 .009 .008 .001 -.001 .000 |
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PrA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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NdA .9958 .1068 .3309 .08 .009 .008 .009 .008 .001 -.001 .000 |
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SmA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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EuA .9958 .1068 .3309 .00 .009 .008 .009 .008 .001 -.001 .000 |
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GdA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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DyA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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ErA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
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YbA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
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ThA .9958 .1068 .3309 .07 .009 .008 .009 .008 .001 -.001 .000 |
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UA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
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Fe2+X 0 0 0 .50 .007 .006 .008 .007 .001 -.001 .001 |
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LiX 0 0 0 .23 .007 .006 .008 .007 .001 -.001 .001 |
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Fe3+X 0 0 0 .21 .007 .006 .008 .007 .001 -.001 .001 |
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MnX 0 0 0 .03 .007 .006 .008 .007 .001 -.001 .001 |
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MgX 0 0 0 .02 .007 .006 .008 .007 .001 -.001 .001 |
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SiZ .5462 .4106 .3384 .50 .006 .005 .006 .006 -.001 -.001 .000 |
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BeZ .5462 .4106 .3384 .27 .006 .005 .006 .006 -.001 -.001 .000 |
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BZ .5462 .4106 .3384 .20 .006 .005 .006 .006 -.001 -.001 .000 |
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LiZ .5462 .4106 .3384 .03 .006 .005 .006 .006 -.001 -.001 .000 |
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SiT .4765 .2704 .0813 .50 .006 .007 .006 .006 -.001 .000 .000 |
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BeT .4765 .2704 .0813 .27 .006 .007 .006 .006 -.001 .000 .000 |
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BT .4765 .2704 .0813 .20 .006 .007 .006 .006 -.001 .000 .000 |
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LiT .4765 .2704 .0813 .03 .006 .007 .006 .006 -.001 .000 .000 |
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O1 .2408 .4052 .0343 .010 .008 .013 .010 .001 .000 .001 |
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O2 .6723 .2924 .4542 .011 .013 .009 .012 .000 .005 .001 |
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O3 .6834 .3401 .2024 .012 .013 .013 .010 -.003 -.002 .000 |
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O4 .3173 .0968 .1432 .011 .015 .009 .008 -.005 .003 .001 |
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O5 .2270 .4105 .3350 .011 .010 .013 .010 .001 .000 .000 |
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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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Fantappieite |
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Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L, |
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Gunter M E, Sebastiani M |
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American Mineralogist 95 (2010) 472-480 |
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Fantappieite, a new mineral of the cancrinite-sodalite group |
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with a 33-layer stacking sequence: Occurrence and crystal structure |
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Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy |
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_database_code_amcsd 0005034 |
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12.8742 12.8742 87.215 90 90 120 P-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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Na1A .1579 .3008 .0127 .5 .047 |
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Na1B .1935 .3875 .0172 .27 .047 |
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Ca1B .1935 .3875 .0172 .23 .047 |
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Na2 2/3 1/3 .0207 .41 .016 |
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Na3A 0 0 .038 .69 .012 |
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Ca3A 0 0 .038 .13 .012 |
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Ca3B 0 0 .0565 .19 .012 |
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Na4A .5038 -.0010 .0433 .53 .017 |
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Na4B .5337 .0671 .0486 .34 .017 |
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Na5A .3722 .1848 .0727 .5 .067 |
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Ca5B .2909 .1454 .0781 .5 .067 |
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Na6 2/3 1/3 .0976 .38 .016 |
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Na7 2/3 1/3 .1643 .39 .016 |
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Na8 2/3 1/3 .2355 .86 .036 |
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Na9A .449 .543 .2528 .16 .027 |
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Na9B .491 .509 .2552 .72 .027 |
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Na10 1/3 2/3 .2777 .45 .052 |
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Ca11 1/3 2/3 .2988 .53 .052 |
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Na12 .3894 .1987 .2861 .41 .002 |
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Na13 .3234 .1567 .2899 .34 .002 |
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Na14 2/3 1/3 .3071 .49 .051 |
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Na15 2/3 1/3 .3265 .49 .051 |
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Na16 .1322 .2691 .3163 .10 .002 |
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K16 .1322 .2691 .3163 .40 .002 |
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Na17 .1718 .342 .3163 .5 .002 |
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Na18 0 0 .3442 .87 .036 |
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K18 0 0 .3442 .13 .036 |
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Na19 .508 .0253 .3513 .82 .042 |
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Na20 1/3 2/3 .3641 .65 .037 |
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Na21 .2804 .1422 .3797 .91 .063 |
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Na22 .162 .3226 .4071 .31 .061 |
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Ca22 .162 .3226 .4071 .29 .061 |
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Na23 .2067 .3952 .4136 .40 .061 |
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Na24 0 0 .4325 .82 .093 |
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Na25 .5 .5 .5 .95 .036 |
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Na26 0 0 .5 .75 .028 |
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Ca1 1/3 2/3 .0692 .059 .054 .054 .067 .027 0 0 |
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Ca2 .1841 .3559 .1052 .66 .048 .047 .046 .047 .020 -.004 .001 |
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Na2 .1841 .3559 .1052 .34 .048 .047 .046 .047 .020 -.004 .001 |
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Ca3 0 0 .1292 .025 .024 .024 .026 .012 0 0 |
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Ca4 .165 .3359 .1659 .38 .029 .026 .026 .034 .011 .001 .000 |
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Na4 .165 .3359 .1659 .62 .029 .026 .026 .034 .011 .001 .000 |
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Ca5 1/3 2/3 .2047 .003 .030 .030 .032 .015 0 0 |
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Ca6 .16 .3086 .2256 .16 .034 .038 .038 .032 .023 -.003 -.002 |
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Na6 .16 .3086 .2256 .84 .034 .038 .038 .032 .023 -.003 -.002 |
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Ca7 0 0 .2637 .049 .044 .044 .057 .022 0 0 |
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Ca8 1/3 2/3 .3867 .94 .053 .046 .046 .067 .023 0 0 |
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Ca9 2/3 1/3 .4032 .024 .024 .024 .025 .012 0 0 |
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Ca10 .5132 .0217 .44 .05 .022 .022 .025 .021 .012 .005 -.001 |
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Na10 .5132 .0217 .44 .95 .022 .022 .025 .021 .012 .005 -.001 |
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Ca11 1/3 2/3 .4607 .023 .025 .025 .019 .012 0 0 |
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K1 .4474 .55 .1377 .5 .033 .039 .037 .027 .023 -.005 -.001 |
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Na1 .4474 .55 .1377 .5 .033 .039 .037 .027 .023 -.005 -.001 |
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K2 .2322 .1168 .1959 .54 .011 .010 .015 .007 .05 -.002 -.001 |
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Na2 .2322 .1168 .1959 .46 .011 .010 .015 .007 .05 -.002 -.001 |
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K3 .4373 .2182 .4705 .98 .022 .023 .023 .020 .010 -.003 .000 |
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Na3 .4373 .2182 .4705 .02 .022 .023 .023 .020 .010 -.003 .000 |
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AlT1 .4213 .3291 .0139 .007 .007 .007 .007 .003 .000 .000 |
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AlT2 .2503 .0027 .0445 .021 .021 .021 .021 .010 .000 .000 |
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AlT3 1/3 .4133 .0733 .011 .011 .010 .011 .005 .000 .000 |
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AlT4 .4142 .0861 .1055 .009 .010 .010 .009 .005 .000 .001 |
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AlT5 .2588 .2546 .1349 .024 .024 .024 .024 .012 .000 .001 |
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AlT6 .415 .0774 .1664 .005 .005 .006 .004 .002 -.001 .000 |
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AlT7 .3337 .4124 .1973 .025 .025 .025 .026 .013 -.001 .000 |
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AlT8 .4094 .0825 .2271 .023 .022 .023 .023 .011 .000 .000 |
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AlT9 .2529 .2509 .2584 .008 .009 .008 .008 .004 .000 .000 |
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AlT10 .0867 .4194 .2897 .024 .023 .024 .023 .011 .001 .001 |
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AlT11 .4205 .3328 .318 .039 .039 .039 .038 .019 .000 .000 |
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AlT12 -.0016 .2512 .3489 .002 .021 .020 .021 .011 .000 .000 |
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AlT13 .3288 .4134 .3781 .048 .048 .048 .048 .024 .000 .000 |
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AlT14 .4167 .0828 .4079 .019 .019 .019 .019 .009 .000 .000 |
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AlT15 .2536 .2556 .4382 .022 .022 .021 .021 .010 .000 .001 |
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AlT16 .078 .4085 .4686 .014 .016 .013 .011 .006 .000 .000 |
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SiT17 .4214 .0875 .0148 .002 .020 .019 .020 .010 .000 -.001 |
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SiT18 .2509 .2502 .0449 .024 .024 .024 .024 .012 .000 .000 |
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SiT19 .0785 .4103 .0739 .016 .016 .016 .016 .009 .000 -.001 |
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SiT20 .4163 .3352 .1048 .033 .034 .035 .030 .019 -.002 -.003 |
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SiT21 .2596 .0097 .1352 .025 .026 .025 .025 .013 .000 .000 |
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SiT22 .4161 .3410 .1663 .013 .013 .013 .012 .007 .000 .000 |
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SiT23 .5839 .6599 .1981 .002 .019 .020 .020 .010 .000 .001 |
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SiT24 .4128 .3303 .2273 .018 .018 .019 .019 .009 .001 .000 |
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SiT25 -.0020 .2499 .2583 .027 .027 .027 .027 .014 .000 -.001 |
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SiT26 .3353 .4221 .2887 .031 .031 .032 .031 .015 -.001 .002 |
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SiT27 .4162 .086 .3189 .051 .050 .051 .050 .025 .000 .000 |
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SiT28 .2485 .2477 .3478 .019 .019 .019 .019 .010 -.001 .000 |
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SiT29 .0803 .4151 .3785 .058 .058 .058 .058 .029 .000 .000 |
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SiT30 .6691 .0777 .4073 .013 .012 .013 .013 .006 .000 .001 |
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SiT31 .2571 .0094 .4389 .035 .035 .035 .035 .018 .000 .000 |
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SiT32 .3316 .4118 .4681 .018 .019 .018 .018 .009 -.001 .001 |
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SiT33 .2545 .2571 .4999 .031 .028 .031 .034 .015 .003 .001 |
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O1 .0115 .3484 .0005 .083 .083 .083 .083 .041 .000 .000 |
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O2 .4478 .227 .0127 .039 .039 .039 .039 .020 -.001 .000 |
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O3 .5522 .1052 .0176 .027 .027 .027 .027 .013 .000 .000 |
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O4 .3383 .0064 .0303 .039 .039 .039 .039 .019 .000 .000 |
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O5 .3295 .3069 .0293 .072 .072 .072 .072 .036 .000 .000 |
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O6 .1261 .2473 .0425 .047 .047 .047 .047 .024 .000 .000 |
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O7 .2176 .1065 .046 .014 .014 .014 .015 .007 .000 .000 |
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O8 .3278 .0054 .0604 .031 .031 .031 .031 .015 .001 -.001 |
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O9 .3246 .321 .0607 .023 .023 .023 .023 .012 .000 .000 |
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O10 .4599 .5524 .0701 .034 .034 .035 .034 .017 .000 .000 |
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O11 .2174 .4346 .0732 .058 .058 .058 .058 .029 .000 .000 |
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O12 .0146 .3526 .0898 .028 .028 .027 .028 .014 .000 -.001 |
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O13 .3396 .3536 .0901 .062 .062 .062 .062 .031 .000 .000 |
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O14 .4286 .2096 .1022 .023 .023 .023 .023 .011 .000 .000 |
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O15 .5682 .1257 .1057 .045 .045 .045 .045 .023 .000 .000 |
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O16 .3379 .3447 .1197 .046 .046 .046 .046 .023 .000 .000 |
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O17 .0027 .3406 .1215 .042 .042 .042 .042 .021 .000 .000 |
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O18 .1205 .242 .1327 .054 .054 .054 .054 .027 .000 .000 |
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O19 .2036 .0985 .1329 .049 .049 .049 .049 .025 .000 .000 |
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O20 .323 .3149 .1504 .035 .035 .035 .035 .017 .000 -.001 |
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O21 .3381 .023 .1514 .018 .018 .018 .019 .009 .000 .000 |
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O22 .5535 .4539 .1611 .043 .043 .043 .043 .022 .000 .000 |
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O23 .4349 .2201 .1685 .043 .043 .044 .043 .022 .000 .000 |
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O24 .0149 .3526 .1808 .026 .026 .026 .026 .013 .000 -.001 |
|
O25 .328 .3435 .1815 .028 .028 .028 .028 .014 .000 .000 |
|
O26 .4456 .5661 .1983 .021 .021 .021 .021 .010 .000 .000 |
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O27 .2053 .4015 .1993 .076 .076 .076 .076 .038 .000 .000 |
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O28 .3507 .3311 .211 .009 .009 .009 .008 .004 .000 .000 |
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O29 .3571 .0126 .2122 .042 .042 .042 .042 .021 .000 .000 |
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O30 .4536 .2247 .2279 .055 .055 .055 .055 .028 .000 .000 |
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O31 .5401 .4628 .2318 .046 .046 .046 .046 .023 .000 .000 |
|
O32 .3232 .0119 .2413 .035 .035 .035 .035 .018 .001 .000 |
|
O33 .3255 .3203 .2423 .003 .030 .030 .029 .015 .001 -.001 |
|
O34 .1183 .2274 .2579 .003 .031 .030 .030 .015 .000 .000 |
|
O35 .2437 .1174 .2626 .023 .023 .023 .022 .011 .000 .000 |
|
O36 .022 .3569 .273 .014 .014 .014 .014 .007 .000 .000 |
|
O37 .3242 .3474 .2737 .066 .066 .066 .066 .033 .001 .000 |
|
O38 .1302 .5614 .2864 .038 .038 .038 .038 .019 .000 .000 |
|
O39 .2053 .4164 .2912 .017 .017 .017 .017 .009 .000 .000 |
|
O40 .352 .0166 .3024 .013 .013 .013 .013 .007 .000 -.001 |
|
O41 .3539 .3496 .3013 .082 .082 .082 .082 .041 .000 .000 |
|
O42 .4646 .2303 .3192 .044 .044 .044 .044 .022 .000 .000 |
|
O43 .5448 .0864 .3229 .066 .065 .066 .066 .033 .000 .000 |
|
O44 .344 .0327 .334 .067 .068 .067 .067 .034 .000 .000 |
|
O45 .3444 .3192 .3345 .025 .025 .025 .025 .013 .000 .000 |
|
O46 .1184 .2258 .3435 .063 .063 .063 .063 .031 .000 .000 |
|
O47 .2242 .1094 .3518 .018 .018 .018 .018 .009 .000 .000 |
|
O48 .305 .3297 .3637 .063 .063 .063 .063 .032 .000 .000 |
|
O49 .0225 .3332 .3647 .028 .028 .028 .028 .014 .000 .000 |
|
O50 .0721 .5316 .3749 .019 .019 .020 .020 .010 .000 .000 |
|
O51 .2246 .4412 .3802 .047 .047 .047 .047 .024 .001 .000 |
|
O52 .0099 .3431 .3944 .001 .010 .010 .010 .005 .000 -.001 |
|
O53 .6509 -.0097 .3942 .036 .035 .036 .035 .018 .000 .000 |
|
O54 .4284 .219 .4032 .057 .057 .057 .057 .028 .000 .000 |
|
O55 .5613 .1151 .4086 .091 .091 .091 .091 .046 .000 .000 |
|
O56 .3386 .0291 .4239 .036 .036 .036 .036 .018 .000 .000 |
|
O57 .676 .0357 .4241 .012 .012 .012 .013 .006 .000 .000 |
|
O58 .1307 .2545 .4351 .055 .055 .055 .055 .028 .000 .000 |
|
O59 .346 .0014 .4534 .015 .015 .015 .015 .008 -.001 .000 |
|
O60 .2138 .1028 .4408 .034 .033 .033 .034 .017 .000 .000 |
|
O61 .3262 .3307 .4534 .043 .043 .043 .043 .021 .000 .000 |
|
O62 .2188 .4403 .4643 .064 .064 .064 .064 .032 .000 .000 |
|
O63 .4639 .531 .4667 .037 .037 .037 .037 .018 .000 .000 |
|
O64 .3279 .347 .4862 .023 .023 .023 .023 .011 .000 .000 |
|
O65 .2436 .1232 .4984 .024 .024 .024 .024 .012 .000 .000 |
|
O66 .3566 .3316 .5139 .013 .013 .013 .013 .007 .000 .000 |
|
S1 0 0 0 .042 .042 .042 .043 .021 0 0 |
|
S2 1/3 2/3 .029 .032 .032 .032 .032 .016 0 0 |
|
S3 2/3 1/3 .0597 .077 .077 .077 .077 .038 0 0 |
|
S4 0 0 .0897 .136 |
|
S5 1/3 2/3 .1125 .016 |
|
S6 1/3 2/3 .1631 .041 .040 .040 .042 .020 0 0 |
|
S7 0 0 .1707 .018 .018 .018 .018 .009 0 0 |
|
S8 0 0 .2226 .045 .045 .045 .044 .023 0 0 |
|
S9 0 0 .2994 .039 .039 .039 .039 .020 0 0 |
|
S10 2/3 1/3 .365 .005 |
|
S11 0 0 .3949 .004 |
|
S12 .356 .6929 .428 .009 |
|
S13 2/3 1/3 .4451 .002 .020 .020 .019 .010 0 0 |
|
S14 2/3 1/3 .4965 .024 |
|
Cl1 2/3 1/3 .2695 .035 |
|
Wat1 2/3 1/3 .1341 .002 |
|
Wat2 1/3 2/3 .2428 .002 |
|
Wat3 .362 .664 .3377 .012 |
|
O5SA 1/3 2/3 .0952 .097 |
|
O5SB .2726 .5365 .1172 .025 |
|
O6SA 1/3 2/3 .1804 .006 |
|
O6SB .26 .5371 .1587 .025 |
|
O7SA 0 0 .1533 .025 |
|
O7SB .0643 .1264 .177 .094 |
|
O8SA 0 0 .2399 .006 |
|
O8SB .0678 .1211 .2147 .049 |
|
O12B .1896 .5856 .435 .045 |
|
O13A 2/3 1/3 .4277 .048 |
|
O13B .5999 .2042 .4502 .028 |
|
O14A 2/3 1/3 .5138 .031 |
|
O14B .6063 .2075 .4899 .003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wiluite |
| |
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A |
 |
The Canadian Mineralogist 43 (2005) 1457-1468 |
|
Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure |
|
Locality: Ariccia, Latium, Italy |
|
_database_code_amcsd 0006057 |
|
15.716 15.716 11.704 90 90 90 *P4/nnc |
|
.25 .25 .25 |
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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) |
|
CaX1 .75 .25 .25 .0092 .0137 .0080 .0058 0 0 0 |
|
CaX2 -.19038 .04495 .37987 .97875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
MgX2 -.19038 .04495 .37987 .01875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
SrX2 -.19038 .04495 .37987 .0025 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
CaX3 -.10090 -.17893 .89483 .97861 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
LaX3 -.10090 -.17893 .89483 .00625 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
CeX3 -.10090 -.17893 .89483 .005 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
NdX3 -.10090 -.17893 .89483 .00125 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
CaX4 .75 .75 .14318 .5 .0105 .0087 .0087 .0142 0 0 0 |
|
Fe3+Y1 .75 .75 .05586 .18 .0188 .0102 .0102 .0359 0 0 0 |
|
TiY1 .75 .75 .05586 .135 .0188 .0102 .0102 .0359 0 0 0 |
|
MgY1 .75 .75 .05586 .13 .0188 .0102 .0102 .0359 0 0 0 |
|
MnY1 .75 .75 .05586 .055 .0188 .0102 .0102 .0359 0 0 0 |
|
AlY2 0 0 0 .9175 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
Fe3+Y2 0 0 0 .0475 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
MgY2 0 0 0 .035 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
MgY3 -.11165 .12018 .12789 .41875 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
AlY3 -.11165 .12018 .12789 .41125 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
Fe3+Y3 -.11165 .12018 .12789 .17 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
BT1 .05304 .05304 .25 .545 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
AlT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
BeT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
HT1 .05304 .05304 .25 .1175 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
BT2 .25 .25 .25 .68 .0100 |
|
HT2 .25 .25 .2070 .16 .0200 |
|
SiZ1 .75 .25 0 .0069 .0075 .0075 .0056 0 0 0 |
|
SiZ2 -.17859 .04304 .87208 .0099 .0096 .0129 .0073 .0017 -.0006 .0018 |
|
SiZ3 -.08389 -.15020 .36491 .0079 .0099 .0070 .0070 .0014 .0006 .0003 |
|
O1 -.21994 .17280 .08462 .0107 .0140 .0092 .0090 .0000 -.0005 .0008 |
|
O2 -.12070 .16054 .28284 .0127 .0166 .0102 .0113 -.0002 -.0046 .0014 |
|
O3 -.04282 .22472 .07802 .0133 .0173 .0126 .0101 .0056 .0029 .0020 |
|
O4 -.06177 .10461 .47133 .0103 .0122 .0097 .0091 .0004 -.0018 .0008 |
|
O5 -.17148 .01169 .17953 .0117 .0119 .0131 .0101 .0048 .0004 -.0014 |
|
O6 -.12105 -.27629 .05351 .0148 .0190 .0122 .0133 .0021 .0023 .0053 |
|
O7A .05565 .1760 .3201 .5 .0102 |
|
O7B .0445 .1466 .3069 .5 .0172 |
|
O8 -.06037 -.09201 .06654 .0099 .0089 .0093 .0114 .0018 .0017 -.0003 |
|
O9 -.14607 -.14607 .25 .0124 .0136 .0136 .0099 -.0018 -.0015 .0015 |
|
O10 .75 .75 .8700 .66 .0305 .0317 .0317 .0279 0 0 0 |
|
O11A -.0030 .0628 .1351 .48438 .0079 |
|
O11B -.0013 .0536 .1543 .36438 .0109 |
|
F11B -.0013 .0536 .1543 .15124 .0109 |
|
O12 .1772 .2733 .2044 .34 .0263 |
|
|
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View JMOL 3-D Structure
|
| |
|
Dietrichite |
|
Ballirano P, Bellatreccia F, Grubessi O |
| |
European Journal of Mineralogy 15 (2003) 1043-1049 |
|
New crystal-chemical and structural data of dietrichite, |
|
ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group |
|
_database_code_amcsd 0007025 |
|
6.1757 24.262 21.206 90 100.436 90 P2_1/c |
|
atom x y z occ Uiso |
|
Zn .370 .5957 .0803 .954 .014 |
|
Al(1) .441 .6128 .4242 .97 .016 |
|
Al(2) .692 .3454 .1957 1.02 .016 |
|
S(1) .087 .2431 .5261 .018 |
|
S(2) .964 .4644 .3886 .018 |
|
S(3) .140 .1961 .2571 .018 |
|
S(4) .165 .4745 .1045 .018 |
|
O(1) .136 .214 .4694 .035 |
|
O(2) .017 .2999 .508 .035 |
|
O(3) -.089 .2146 .551 .035 |
|
O(4) .287 .244 .5762 .035 |
|
O(5) .993 .436 .3293 .035 |
|
O(6) .894 .5217 .372 .035 |
|
O(7) .793 .436 .417 .035 |
|
O(8) .173 .4646 .4352 .035 |
|
O(9) .132 .188 .3257 .035 |
|
O(10) .220 .2528 .249 .035 |
|
O(11) -.082 .1884 .218 .035 |
|
O(12) .294 .1560 .236 .035 |
|
O(13) .157 .4426 .1639 .035 |
|
O(14) .236 .4383 .056 .035 |
|
O(15) -.057 .4962 .079 .035 |
|
O(16) .323 .5207 .120 .035 |
|
Wat(1) .697 .586 .122 .035 |
|
Wat(2) .324 .634 .165 .035 |
|
Wat(3) .434 .673 .043 .035 |
|
Wat(4) .044 .609 .044 .035 |
|
Wat(5) .406 .559 -.004 .035 |
|
Wat(6) .491 .559 .366 .035 |
|
Wat(7) .153 .620 .375 .035 |
|
Wat(8) .536 .668 .371 .035 |
|
Wat(9) .368 .669 .480 .035 |
|
Wat(10) .733 .606 .472 .035 |
|
Wat(11) .357 .560 .478 .035 |
|
Wat(12) .529 .348 .112 .035 |
|
Wat(13) .943 .317 .168 .035 |
|
Wat(14) .603 .271 .208 .035 |
|
Wat(15) .839 .344 .281 .035 |
|
Wat(16) .444 .372 .224 .035 |
|
Wat(17) .785 .418 .187 .035 |
|
Wat(18) .808 .259 .364 .035 |
|
Wat(19) .199 .540 .264 .035 |
|
Wat(20) .665 .507 .234 .035 |
|
Wat(21) .405 .389 .346 .035 |
|
Wat(22) .416 .291 .413 .035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Farneseite |
| |
Camara F, Bellatreccia F, Della Ventura G, Mottana A |
| |
European Journal of Mineralogy 17 (2005) 839-846 |
|
Farneseite, a new mineral of the cancrinite - sodalite group |
|
with a 14-layer stacking sequence: occurence and crystal structure |
|
Locality: Latera Caldera, Farnese, Viterbo Province, Italy |
|
_database_code_amcsd 0007136 |
|
12.8784 12.8784 37.0078 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1A .5054 .0070 .3927 .467 .014 .011 .022 .015 .011 -.002 -.004 |
|
Ca1A .5054 .0070 .3927 .220 .014 .011 .022 .015 .011 -.002 -.004 |
|
Na1B .5240 .0470 .3887 .158 .030 .028 .026 .039 .014 .000 .002 |
|
Ca1B .5240 .0470 .3887 .074 .030 .028 .026 .039 .014 .000 .002 |
|
Na1C .4760 -.0580 .4015 .055 .039 .042 .080 .017 .050 -.010 -.011 |
|
Ca1C .4760 -.0580 .4015 .026 .039 .042 .080 .017 .050 -.010 -.011 |
|
Na2A 1/3 2/3 .3036 .123 .104 .017 .017 .280 .009 0 0 |
|
Ca2A 1/3 2/3 .3036 .070 .104 .017 .017 .280 .009 0 0 |
|
Na2B 1/3 2/3 .3479 .230 .050 .038 .038 .074 .019 0 0 |
|
Ca2B 1/3 2/3 .3479 .130 .050 .038 .038 .074 .019 0 0 |
|
Na3A .6800 -.1605 .4649 .410 .038 .071 .029 .028 .036 .024 .012 |
|
Ca3A .6800 -.1605 .4649 .023 .038 .071 .029 .028 .036 .024 .012 |
|
Na3B .5970 -.2044 .4543 .213 .043 .072 .036 .031 .035 .022 .018 |
|
Ca3B .5970 -.2044 .4543 .012 .043 .072 .036 .031 .035 .022 .018 |
|
Na3C .7360 -.1318 .4718 .324 .036 .044 .033 .034 .022 .007 .007 |
|
Ca3C .7360 -.1318 .4718 .018 .036 .044 .033 .034 .022 .007 .007 |
|
Na4A 0 0 .3832 .105 .029 |
|
Na4B 0 0 .4144 .805 .057 .028 .028 .114 .014 0 0 |
|
Na5A 0 0 .25 .078 .011 |
|
Ca5A 0 0 .25 .076 .011 |
|
Na5B 0 0 .2652 .151 .038 .029 .029 .058 .014 0 0 |
|
Ca5B 0 0 .2652 .147 .038 .029 .029 .058 .014 0 0 |
|
Na6 .5143 .0227 .25 .94 .035 .021 .046 .042 .020 0 0 |
|
Ca6 .5143 .0227 .25 .06 .035 .021 .046 .042 .020 0 0 |
|
K .4372 .2190 .3180 .765 .035 .040 .026 .044 .020 -.010 -.004 |
|
NaK .4372 .2190 .3180 .212 .035 .040 .026 .044 .020 -.010 -.004 |
|
CaK .4372 .2190 .3180 .023 .035 .040 .026 .044 .020 -.010 -.004 |
|
Ca 2/3 1/3 .4798 .467 .031 .027 .027 .037 .014 0 0 |
|
Na 2/3 1/3 .4798 .533 .031 .027 .027 .037 .014 0 0 |
|
Al1 .6692 .0828 .4659 .016 .014 .018 .016 .009 .002 .001 |
|
Al2 .2524 .0028 .3922 .014 .015 .012 .014 .007 -.001 .000 |
|
Al3 .5897 -.0868 .3213 .011 .010 .011 .014 .007 .000 .000 |
|
Al4 .2523 -.0051 .25 .010 .009 .007 .013 .003 0 0 |
|
Si1 .3371 -.0813 .3213 .011 .009 .012 .013 .006 .000 .001 |
|
Si2 .7505 -.0015 .3934 .013 .013 .011 .015 .006 -.001 -.001 |
|
Si3 .4151 .0832 .4649 .014 .015 .013 .014 .008 .001 .003 |
|
Si4 .2524 .2507 .25 .010 .011 .008 .013 .005 0 0 |
|
S1 0 0 .5 .055 .055 .055 .055 .027 0 0 |
|
S2 2/3 1/3 .3794 .034 .033 .033 .037 .016 0 0 |
|
S3 2/3 1/3 .2500 .034 .031 .031 .041 .015 0 0 |
|
S4 1/3 2/3 .4247 .134 .050 |
|
O1 .3240 -.0134 .3561 .044 .041 .032 .035 .000 .024 -.014 |
|
O2 .6847 .0187 .4268 .049 .055 .041 .041 .015 .022 -.014 |
|
O3 .7839 .2269 .4734 .042 .021 .032 .049 -.006 .002 -.001 |
|
O4 .2387 -.2218 .3203 .027 .015 .014 .044 .002 .003 .002 |
|
O5 .4662 -.0702 .3251 .050 .010 .027 .117 .011 -.003 -.006 |
|
O6 .5417 .0902 .4620 .044 .028 .064 .054 .034 .020 .034 |
|
O7 .6657 -.0189 .3603 .048 .072 .044 .038 .036 -.036 -.018 |
|
O8 .6668 .0002 .5025 .042 .025 .056 .041 .017 .006 .033 |
|
O9 .3477 .0316 .4282 .041 .048 .038 .033 .019 -.024 -.007 |
|
O10 .3341 -.0132 .2862 .039 .033 .033 .031 .001 -.017 .016 |
|
O11 .7841 -.1015 .25 .024 .020 .010 .046 .010 0 0 |
|
O12 .2611 .1324 .25 .048 .019 .010 .116 .009 0 0 |
|
O13 .2209 .1157 .3873 .062 .086 .032 .088 .045 -.048 -.027 |
|
O14 .6708 -.0068 .2842 .048 .079 .037 .043 .040 .049 .026 |
|
O15 .7573 -.1190 .4030 .045 .066 .029 .058 .036 -.028 -.015 |
|
O30 2/3 1/3 .4196 .063 .073 .073 .042 .037 0 0 |
|
O31 .6074 .2101 .3665 .060 .056 .045 .073 .022 -.002 -.019 |
|
O32 2/3 1/3 .2835 .5 .050 |
|
O33 .5994 .2156 .2661 .5 .050 |
|
O34 .4018 -.2033 .4094 .077 .074 .089 .051 .029 .014 .014 |
|
O35 1/3 2/3 .4604 .050 |
|
O36 .8998 -.0076 .4803 .050 |
|
Cl .3176 -.3024 .4306 .040 .050 |
|
S .3176 -.3024 .4306 .183 .050 |
|
F .3176 -.3024 .4306 .013 .050 |
|
Wat1 .3600 -.4070 .25 .266 .050 |
|
Wat2 0 0 .3238 .357 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-3 |
|
_database_code_amcsd 0007151 |
|
5.337 9.239 10.237 90 100.030 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0657 .0321 .0309 .0332 .0321 0 .0052 0 |
|
Mg1 0 0 .5 .7460 .0114 .0095 .0094 .0158 0 .0032 0 |
|
Fe1 0 0 .5 .2539 .0114 .0095 .0094 .0158 0 .0032 0 |
|
Mg2 0 .33500 .5 .7496 .0120 .0081 .0136 .0143 0 .0017 0 |
|
Fe2 0 .33500 .5 .2504 .0120 .0081 .0136 .0143 0 .0017 0 |
|
Si .07516 .16682 .22580 .0117 .0102 .0108 .0142 .00004 .00212 .0000 |
|
O1 .3306 .22528 .16875 .0213 .0183 .0261 .0201 -.0059 .0051 -.0042 |
|
O2 .0068 0 .1696 .0204 .0262 .0162 .0174 0 -.0003 0 |
|
O3 .1307 .16761 .39126 .0128 .0126 .0123 .0139 .0000 .0031 -.0001 |
|
O4 .1324 .5 .3989 .0142 .0141 .0150 .0129 0 .0007 0 |
|
H .119 .5 .313 .7105 .0142 .0141 .0150 .0129 0 .0007 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-5 |
|
_database_code_amcsd 0007152 |
|
5.334 9.240 10.235 90 100.021 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0653 .0308 .0304 .0304 .0316 0 .0055 0 |
|
Mg1 0 0 .5 .7554 .0109 .0098 .0080 .0158 0 .0042 0 |
|
Fe1 0 0 .5 .2447 .0109 .0098 .0080 .0158 0 .0042 0 |
|
Mg2 0 .33555 .5 .7462 .0119 .00852 .0131 .0142 0 .00214 0 |
|
Fe2 0 .33555 .5 .2538 .0119 .00852 .0131 .0142 0 .00214 0 |
|
Si .07514 .16687 .22577 .0107 .00994 .00927 .01315 .00008 .00240 .00008 |
|
O1 .3303 .22552 .16832 .0205 .0185 .0248 .0189 -.0064 .0051 -.0037 |
|
O2 .0063 0 .16935 .0201 .0264 .0140 .0185 0 .0001 0 |
|
O3 .13101 .16747 .39139 .0127 .0123 .0118 .0141 .0001 .0028 .0006 |
|
O4 .1324 .5 .39917 .0134 .0129 .0147 .0124 0 .0016 0 |
|
H .115 .5 .332 .7027 .0134 .0129 .0147 .0124 0 .0016 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-9 |
|
_database_code_amcsd 0007153 |
|
5.337 9.238 10.228 90 100.050 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0170 .0309 .0320 .0305 .0302 0 .0054 0 |
|
Mg1 0 0 .5 .7403 .0095 .0091 .0069 .0128 0 .0035 0 |
|
Fe1 0 0 .5 .2589 .0095 .0091 .0069 .0128 0 .0035 0 |
|
Mg2 0 .33610 .5 .7256 .0107 .00755 .01274 .0117 0 .00109 0 |
|
Fe2 0 .33610 .5 .2742 .0107 .00755 .01274 .0117 0 .00109 0 |
|
Si .07503 .16690 .22570 .0091 .00903 .00808 .01012 .00009 .00158 .00019 |
|
O1 .3299 .22619 .16852 .0184 .0178 .0232 .0150 -.0063 .0049 -.0033 |
|
O2 .0087 0 .16952 .0185 .0261 .0133 .0146 0 -.0004 0 |
|
O3 .13035 .16764 .39156 .0110 .0109 .0109 .0113 .0004 .0022 .0003 |
|
O4 .1324 .5 .39905 .0119 .0122 .0133 .0100 0 .0012 0 |
|
H .114 .5 .317 .6806 .0119 .0122 .0133 .0100 0 .0012 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-51 |
|
_database_code_amcsd 0007154 |
|
5.336 9.236 10.223 90 100.058 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0451 .0301 .0305 .0306 .0292 0 .00536 0 |
|
Mg1 0 0 .5 .7249 .0098 .00893 .00821 .01293 0 .00364 0 |
|
Fe1 0 0 .5 .2736 .0098 .00893 .00821 .01293 0 .00364 0 |
|
Mg2 0 .33579 .5 .7235 .0108 .00721 .01362 .01140 0 .00130 0 |
|
Fe2 0 .33579 .5 .2760 .0108 .00721 .01362 .01140 0 .00130 0 |
|
Si .07504 .16693 .22557 .0090 .00835 .00903 .00963 .00000 .00167 .00014 |
|
O1 .32969 .22605 .16825 .0190 .0175 .0249 .0153 -.0067 .00448 -.0035 |
|
O2 .0083 0 .16922 .0190 .0266 .0138 .0149 0 -.0007 0 |
|
O3 .13067 .16769 .39140 .0111 .01136 .01192 .01001 .00027 .00159 .00010 |
|
O4 .13192 .5 .39899 .0126 .0122 .0147 .0107 0 .0018 0 |
|
H .112 .5 .331 .6949 .0126 .0122 .0147 .0107 0 .0018 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
|
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
|
approach: substitutional mechanisms and orientation of the OH dipoles |
|
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
|
Sample: SA1-52 |
|
_database_code_amcsd 0007155 |
|
5.335 9.242 10.231 90 100.001 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 0 1.0091 .0315 .0313 .0321 .0316 0 .0068 0 |
|
Mg1 0 0 .5 .7370 .0107 .0096 .0084 .0148 0 .0042 0 |
|
Fe1 0 0 .5 .2625 .0107 .0096 .0084 .0148 0 .0042 0 |
|
Mg2 0 .33530 .5 .7303 .0116 .0081 .0132 .0137 0 .0022 0 |
|
Fe2 0 .33530 .5 .2696 .0116 .0081 .0132 .0137 0 .0022 0 |
|
Si .07514 .16686 .22597 .0103 .00939 .00923 .0125 -.0001 .00268 .0000 |
|
O1 .3301 .22632 .16888 .0201 .0182 .0246 .0181 -.0053 .0054 -.0034 |
|
O2 .0084 0 .1697 .0197 .0257 .0152 .0172 0 .0004 0 |
|
O3 .1306 .16728 .39175 .0121 .0122 .0114 .0129 -.0001 .0024 -.0006 |
|
O4 .1317 .5 .39840 .0125 .0118 .0133 .0125 0 .0025 0 |
|
H .113 .5 .317 .7015 .0125 .0118 .0133 .0125 0 .0025 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Capranicaite |
| |
Callegari A M, Boiocchi M, Bellatreccia F, Caprilli E, Medenbach O, Cavallo A |
| |
Mineralogical Magazine 75 (2011) 33-43 |
|
Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, |
|
Italy, with a peculiar topology of the periodic single chain [Si2O6] |
|
Locality: Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy |
|
_database_code_amcsd 0018373 |
|
4.8507 16.6156 20.5445 90 90.245 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .8024 .8570 .2496 .0160 .0155 .0198 .0126 -.0027 .0007 .0000 |
|
Si2 .1980 .4693 .2506 .0151 .0135 .0187 .0129 -.0015 .0002 .0000 |
|
Al1 .2517 .5357 .3947 .0099 .0083 .0100 .0115 -.0001 .0002 -.0002 |
|
Al2 .2483 .5357 .1058 .0099 .0080 .0101 .0116 -.0002 .0001 .0005 |
|
Al3 .7544 .7945 .1044 .0107 .0116 .0083 .0122 -.0003 .0005 -.0003 |
|
Al4 .7456 .7951 .3954 .0106 .0115 .0083 .0118 -.0007 .0010 .0003 |
|
B1 .2542 .7072 .0809 .0155 .0067 .0057 .0343 -.0003 .0002 -.0011 |
|
B2 .2457 .7074 .4186 .0166 .0051 .0040 .0408 .0012 .0003 .0000 |
|
B3 .7489 .4582 .4295 .0105 .0107 .0111 .0097 .0006 .0002 -.0008 |
|
B4 -.2496 .4584 .0703 .0116 .0102 .0103 .0142 -.0001 .0003 .0004 |
|
CaM1 .7377 .6289 .0037 .60 .0138 .0140 .0131 .0144 .0000 .0002 -.0001 |
|
NaM1 .7377 .6289 .0037 .40 .0138 .0140 .0131 .0144 .0000 .0002 -.0001 |
|
CaM2 .2395 .3706 .5038 .61 .0134 .0134 .0125 .0142 .0001 -.0001 -.0001 |
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NaM2 .2395 .3706 .5038 .39 .0134 .0134 .0125 .0142 .0001 -.0001 -.0001 |
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KA .7125 .6337 .2500 .72 .0600 .0587 .0243 .0970 -.0056 .0076 .0015 |
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CsA .7125 .6337 .2500 .07 .0600 .0587 .0243 .0970 -.0056 .0076 .0015 |
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O1 .6193 .9387 .2484 .0304 .0136 .0288 .0487 .0007 .0011 .0016 |
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O2 .1196 .8883 .2496 .0309 .0148 .0249 .0529 -.0020 .0012 .0007 |
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O3 .7474 .8015 .1873 .0285 .0396 .0323 .0135 -.0067 -.0005 -.0032 |
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O4 .7459 .8033 .3126 .0290 .0361 .0359 .0149 -.0067 .0005 .0038 |
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O5 .2490 .5250 .1883 .0284 .0396 .0322 .0135 -.0049 -.0002 .0051 |
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O6 .2570 .5256 .3121 .0289 .0392 .0343 .0132 -.0082 .0012 -.0031 |
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O7 .5277 .7173 .4212 .0166 .0099 .0113 .0286 -.0008 -.0001 .0040 |
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O8 .4265 .7727 .0724 .0164 .0128 .0118 .0245 -.0031 -.0022 .0045 |
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O9 .9724 .7173 .0774 .0169 .0104 .0105 .0298 .0008 -.0006 -.0034 |
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O10 .0730 .7729 .4273 .0172 .0130 .0127 .0257 .0032 -.0015 -.0046 |
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O11 .0314 .4656 .4312 .0144 .0095 .0113 .0223 .0000 .0006 .0033 |
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O12 -.0836 .5250 .0727 .0154 .0107 .0100 .0256 -.0017 -.0035 .0025 |
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O13 .4690 .4660 .0690 .0155 .0090 .0123 .0252 .0005 .0000 -.0039 |
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O14 .5844 .5251 .4275 .0160 .0102 .0119 .0259 .0015 -.0026 -.0018 |
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O15 .6346 .8830 .4346 .0169 .0137 .0094 .0276 -.0016 .0059 -.0023 |
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O16 .8666 .8830 .0662 .0162 .0144 .0083 .0259 .0018 .0051 .0015 |
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O17 .1332 .6311 .4179 .0172 .0115 .0093 .0310 -.0013 .0025 -.0010 |
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O18 .3680 .6313 .0836 .0180 .0115 .0111 .0313 .0004 .0023 .0017 |
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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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| |
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