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Tamarugite |
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Robinson P D, Fang J H |
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American Mineralogist 54 (1969) 19-30 |
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Crystal structures and mineral chemistry of double-salt hydrates: I. Direct |
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determination of the crystal structure of tamarugite |
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_database_code_amcsd 0000186 |
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7.353 25.225 6.097 90 95.2 90 P2_1/a |
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atom x y z Biso |
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Na .6169 .0525 .1950 1.8 |
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Al .1424 .1454 .6785 .9 |
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S1 .6427 .1830 .2097 1.2 |
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S2 .7076 .0204 .7515 1.2 |
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O1 .5594 .2214 .0424 1.9 |
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O2 .8171 .1621 .1392 1.9 |
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O3 .5159 .1391 .2373 2.3 |
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O4 .6811 .2112 .4229 1.8 |
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O5 .2929 .0400 .2612 2.0 |
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O6 .7571 .0421 .5380 2.1 |
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O7 .5208 .0381 .7938 1.5 |
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O8 .8391 .0384 .9326 1.5 |
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Wat1 .1232 .1870 .4182 1.5 |
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Wat2 .0611 .0881 .4987 1.8 |
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Wat3 .3837 .1260 .6365 1.5 |
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Wat4 .9020 .1636 .7299 1.4 |
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Wat5 .2358 .2020 .8446 1.9 |
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Wat6 .1389 .1000 .9307 2.4 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Tamarugite |
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Mereiter K |
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Acta Crystallographica E69 (2013) i63-i64 |
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Redetermination of tamarugite, NaAl(SO4)2*6H2O |
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Locality: Mina Alcaparossa, southwest of Calama, Chile |
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_database_code_amcsd 0020636 |
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7.3847 25.2814 6.1097 90 94.85 90 P2_1/a |
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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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Na .61674 .05252 .19574 .02332 .0259 .0258 .0184 .0010 .0027 -.0016 |
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Al .14270 .145043 .67813 .01380 .01271 .01541 .01329 .00230 .00115 .00043 |
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S1 .64309 .183070 .20951 .01517 .01638 .01529 .01387 .00107 .00146 .00165 |
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S2 .70759 .020635 .75101 .01550 .01550 .01615 .01499 .00061 .00212 .00103 |
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O1 .56130 .22057 .04440 .0243 .0220 .0237 .0256 -.0051 -.0067 .0106 |
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O2 .81572 .16235 .13994 .0289 .0211 .0454 .0203 .0096 .0034 -.0031 |
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O3 .51612 .13940 .23679 .0278 .0329 .0194 .0319 -.0057 .0081 .0045 |
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O4 .68102 .21088 .42206 .0265 .0352 .0237 .0193 .0096 -.0046 -.0045 |
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O5 .70649 -.03788 .73854 .0236 .0261 .0171 .0283 .0034 .0063 -.0015 |
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O6 .75440 .04265 .53995 .0264 .0256 .0366 .0171 -.0108 .0021 .0051 |
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O7 .52218 .03764 .79589 .0223 .0183 .0212 .0278 .0055 .0044 .0043 |
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O8 .83689 .03868 .93065 .0253 .0227 .0335 .0192 -.0048 -.0018 -.0011 |
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O9W .12417 .18649 .41967 .01999 .0221 .0184 .0188 -.0015 -.0020 .0039 |
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H9A .0410 .1799 .3314 .036 |
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H9B .1394 .2178 .4205 .060 |
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O10W .06021 .08844 .49795 .0246 .0216 .0194 .0344 -.0046 .0113 -.0084 |
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H10A .1292 .0712 .4331 .040 |
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H10B -.0271 .0706 .5143 .048 |
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O11W .38482 .12715 .63708 .01946 .0171 .0198 .0222 .0050 .0056 .0032 |
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H11A .4237 .0992 .6801 .042 |
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H11B .4225 .1328 .5204 .040 |
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O12W -.09652 .16350 .73114 .0214 .0164 .0321 .0160 .0080 .0024 .0024 |
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H12A -.1675 .1793 .6492 .045 |
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H12B -.1363 .1624 .8489 .047 |
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O13W .23469 .20302 .84445 .0256 .0164 .0289 .0305 .0057 -.0050 -.0138 |
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H13A .3364 .2044 .9006 .046 |
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H13B .1744 .2237 .9058 .047 |
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O14W .13788 .09989 .92728 .0325 .0282 .0436 .0260 .0095 .0041 .0168 |
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H14A .2199 .0995 1.0216 .073 |
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H14B .0685 .0768 .9525 .18 |
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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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