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Hydroxylellestadite |
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Onac B P, Effenberger H, Ettinger K, Panzaru S P |
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American Mineralogist 91 (2006) 1927-1931 |
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Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
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structural, and vibrational spectroscopy data |
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Locality: Cioclovina Cave, Sureanu Mountains, Romania |
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_database_code_amcsd 0004257 |
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9.496 9.496 6.920 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
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Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
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SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
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ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
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PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
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O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
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O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
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O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
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OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
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FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
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ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0 |
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Ellestadite-(OH) |
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Onac B P, Effenberger H, Ettinger K, Panzaru S P |
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American Mineralogist 91 (2006) 1927-1931 |
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Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
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structural, and vibrational spectroscopy data |
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Locality: Cioclovina Cave, Sureanu Mountains, Romania |
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_database_code_amcsd 0004258 |
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9.496 9.496 6.920 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
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Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
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SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
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ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
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PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
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O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
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O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
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O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
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OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
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FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
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ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Berlinite |
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Onac B P, Effenberger H S |
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American Mineralogist 92 (2007) 1998-2001 |
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Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania |
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Locality: Cioclovina Cave, Romania |
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_database_code_amcsd 0004489 |
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4.9458 4.9458 10.9526 90 90 120 *P3_121 |
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0 0 1/3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al .46649 0 1/3 .01073 .01152 .00976 .01031 .00488 -.000215 -.00043 |
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P .46689 0 5/6 .01111 .01225 .00970 .01054 .00485 -.000155 -.00031 |
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O1 .4157 .2911 .39763 .01740 .0228 .0166 .0160 .0122 -.0028 -.00438 |
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O2 .4150 .2575 .88400 .01733 .0225 .0161 .0172 .0125 -.0041 -.0048 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Burbankite |
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Onac B P, Bernhardt H J, Effenberger H |
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European Journal of Mineralogy 21 (2009) 507-514 |
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Authigenic burbankite in the Cioclovina Cave sediments (Romania) |
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Locality: Cioclovina Cave sediments, Romania |
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_database_code_amcsd 0007286 |
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10.514 10.514 6.477 90 90 120 P6_3mc |
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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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NaA .52343 -.52343 .3128 .82 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
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CaA .52343 -.52343 .3128 .17 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
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SrB .84125 -.84125 0 .57 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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CaB .84125 -.84125 0 .16 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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BaB .84125 -.84125 0 .11 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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YB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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CeB .84125 -.84125 0 .05 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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LaB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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NdB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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PrB .84125 -.84125 0 .01 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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ThB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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C1 .7999 -.7999 .5372 .0151 .0144 .0144 .017 .0071 .0015 -.0015 |
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C2 0 0 .8313 .0172 .017 .017 .017 .0085 0 0 |
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C3 1/3 2/3 .490 .0177 .019 .019 .014 .0097 0 0 |
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O1 .3749 .0815 .6308 .0240 .0224 .0179 .0312 .0096 -.0024 .0047 |
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O2 .9304 -.9304 .3353 .0316 .0250 .0250 .053 .019 .0006 -.0006 |
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O3 .40439 -.40439 .4864 .0242 .0296 .0296 .0214 .0208 .0006 -.0006 |
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O4 .7756 -.7756 .3533 .0245 .0240 .0240 .0251 .0117 -.0019 .0019 |
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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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