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Alunogen |
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Fang J H, Robinson P D |
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American Mineralogist 61 (1976) 311-317 |
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Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content |
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_database_code_amcsd 0000518 |
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7.420 26.970 6.062 89.67 97.34 91.53 P-1 |
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atom x y z Biso |
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S1 .2327 .9390 .4813 1.46 |
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S2 .2424 .5607 .4859 1.23 |
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S3 .6334 .7470 .4740 2.54 |
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Al1 .2803 .0986 .0012 1.27 |
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Al2 .7367 .5995 .0029 1.19 |
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O1 .3740 .9043 .4480 2.80 |
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O2 .6970 .0258 .3400 2.30 |
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O3 .9280 .0886 .4570 2.30 |
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O4 .1750 .9656 .2710 2.50 |
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O5 .6930 .4738 .3360 2.30 |
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O6 .3910 .5955 .4470 2.10 |
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O7 .9080 .4114 .4460 2.00 |
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O8 .1740 .5336 .2790 2.20 |
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O9 .2320 .2814 .3870 4.80 |
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O10 .6040 .7268 .2490 3.70 |
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O11 .7030 .7981 .4660 4.20 |
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O12 .5430 .2528 .4370 6.60 |
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Wat1 .8120 .8415 .1130 2.30 |
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Wat2 .3340 .1254 .2890 1.90 |
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Wat3 .3740 .0379 .1120 1.80 |
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Wat4 .7710 .9304 .2850 1.60 |
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Wat5 .4820 .8829 .0530 1.90 |
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Wat6 .0460 .0774 .0620 2.00 |
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Wat7 .8280 .6603 .1280 2.00 |
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Wat8 .3030 .3725 .2820 1.70 |
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Wat9 .0270 .4179 .0470 2.00 |
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Wat10 .7770 .5696 .2870 1.50 |
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Wat11 .4970 .6145 .0520 1.70 |
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Wat12 .3610 .4622 .1210 1.50 |
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Watz1 .7090 .3249 .2010 4.40 |
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Watz2 .6110 .2101 .0430 5.90 |
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Watz3 .0020 .2164 .1010 7.10 |
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Watz4 .1520 .6965 .2290 7.60 |
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Watz5 .1480 .7970 .4340 6.20 |
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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 (permalink) |
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Alunogen |
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Menchetti S, Sabelli C |
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Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 164-178 |
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Alunogen. Its structure and twinning |
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Locality: grotta dell'allume, Vulcano Island, Italy |
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_database_code_amcsd 0015647 |
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7.425 26.9750 6.0608 90.03 97.66 91.94 P-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al1 .2365 .09959 .0033 .0042 .0003 .0053 .0001 .0012 .0006 |
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Al2 .2195 .40121 .9987 .0049 .0004 .0064 .00001 .0014 .0007 |
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S1 .7422 .06071 .4866 .0047 .0004 .0066 .0001 .0007 .0005 |
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S2 .7318 .43938 .4809 .0051 .0005 .0098 .0001 .0013 .0005 |
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S3 .1303 .24739 .4731 .0223 .0004 .0134 .0007 .0074 .0008 |
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O1 .6726 .0337 .2781 .0089 .0012 .0132 .0015 -.0030 -.0006 |
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O2 .8059 .0257 .6623 .0133 .0006 .0161 -.0006 -.0054 .0020 |
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O3 .5925 .0886 .5552 .0083 .0009 .0064 .0006 .0023 -.0003 |
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O4 .8928 .0952 .4512 .0030 .0010 .0167 -.0007 .0014 .0010 |
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O5 .6752 .4664 .2740 .0117 .0010 .0122 -.0009 -.0023 .0022 |
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O6 .8029 .4744 .6573 .0121 .0008 .0225 .0007 -.0045 -.0005 |
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O7 .5715 .4113 .5438 .0064 .0012 .0103 -.0004 .0016 .0018 |
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O8 .8728 .4047 .4455 .0075 .0013 .0181 .0016 .0030 -.0012 |
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O9 .2626 .2177 .6116 .0350 .0008 .0428 -.0001 -.0053 .0037 |
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O10 .1042 .2268 .2475 .0231 .0013 .0264 .0010 -.0003 -.0012 |
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O11 -.0438 .2464 .5573 .0326 .0020 .0467 .0018 .0239 .0014 |
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O12 .2023 .2983 .4664 .0488 .0004 .0269 .0006 .0160 .0007 |
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O13 .1400 .0380 .8830 .0075 .0005 .0099 -.0001 -.0021 .0002 |
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O14 .2768 .0690 .2845 .0080 .0005 .0103 .0000 .0005 .0005 |
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O15 .4730 .0819 .9545 .0071 .0008 .0149 .0003 .0026 .0010 |
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O16 .3265 .1606 .1258 .0094 .0006 .0205 -.0003 .0011 -.0005 |
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O17 .1967 .1276 .7168 .0079 .0006 .0105 .0002 .0009 .0006 |
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O18 -.0010 .1149 .0522 .0061 .0008 .0124 .0005 .0035 .0007 |
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O19 .4521 .4225 .9364 .0077 .0012 .0108 .0001 .0028 .0002 |
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O20 .2687 .4304 .2832 .0090 .0007 .0116 .0003 .0016 .0009 |
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O21 .1266 .4632 .8868 .0066 .0005 .0130 .0001 .0004 .0006 |
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O22 -.0183 .3829 .0549 .0080 .0007 .0125 .0005 .0013 -.0001 |
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O23 .1665 .3753 .7124 .0094 .0008 .0104 .0005 .0013 -.0001 |
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O24 .3100 .3419 .1112 .0114 .0006 .0197 .0007 .0041 .0016 |
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O25 .7916 .1748 .8023 .0188 .0012 .0392 .0100 .0001 .0019 |
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O26 .8842 .2906 .9493 .0304 .0014 .0676 -.0008 .0099 -.0020 |
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O27 .6497 .1967 .2262 .0192 .0031 .0898 -.0019 -.0047 -.0011 |
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O28 .4949 .2834 .9045 .0213 .0028 .0563 .0022 .0044 -.0053 |
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Wat29 .644 .296 .444 .4 9.68 |
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H1 .180 .007 .850 |
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H2 .010 .033 .800 |
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H3 .250 .029 .290 |
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H4 .370 .083 .350 |
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H5 .520 .090 .840 |
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H6 .550 .064 .080 |
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H7 .260 .187 .160 |
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H8 .450 .166 .180 |
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H9 .230 .165 .690 |
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H10 .080 .116 .620 |
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H11 -.040 .108 .200 |
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H12 -.080 .138 .960 |
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H13 .500 .413 .790 |
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H14 .520 .444 .050 |
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H15 .280 .469 .290 |
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H16 .340 .429 .400 |
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H17 .180 .495 .840 |
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H18 .020 .477 .860 |
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H19 -.060 .391 .200 |
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H20 -.060 .347 .010 |
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H21 .050 .381 .650 |
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H22 .180 .345 .660 |
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H23 .270 .326 .250 |
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H24 .400 .325 .020 |
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H25 .680 .159 .680 |
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H26 .850 .203 .760 |
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H27 .910 .275 .810 |
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H28 .960 .268 .060 |
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H29 .720 .220 .310 |
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H30 .710 .190 .110 |
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H31 .440 .259 .820 |
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H32 .630 .287 .920 |
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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 (permalink) |
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