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Romerite |
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Fanfani L, Nunzi A, Zanazzi P F |
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American Mineralogist 55 (1970) 78-89 |
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The crystal structure of roemerite |
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Locality: Dexter mine, Utah, USA |
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_database_code_amcsd 0000195 |
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6.463 15.309 6.341 90.53 101.08 85.73 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .01149 .00228 .01122 .00039 .00195 -.00044 |
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Fe2 .33850 .32040 .59415 .00569 .00159 .00739 -.00029 .00109 -.00032 |
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S1 .59285 .16794 .36415 .00801 .00195 .00938 .00002 .00156 -.00049 |
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S2 .75980 .38682 .90730 .00610 .00175 .00894 -.00013 .00117 -.00034 |
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O1 .43090 .20817 .48397 .01449 .00258 .01816 .00020 .00669 -.00159 |
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O2 .58301 .21947 .16464 .01747 .00433 .01460 .00125 .00317 .00305 |
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O3 .80677 .16991 .49380 .00897 .00316 .01684 -.00031 -.00026 .00187 |
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O4 .53956 .07819 .32383 .01480 .00303 .03153 -.00123 .00593 -.00421 |
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O5 .62142 .33029 .75584 .01099 .00353 .01896 -.00055 -.00141 -.00182 |
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O6 .64356 .42242 .06814 .01530 .00260 .01795 .00006 .00741 -.00103 |
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O7 .82510 .45660 .78307 .01440 .00272 .02191 .00017 .00738 .00206 |
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O8 .94487 .33021 .00778 .00972 .00329 .01240 .00084 .00177 .00094 |
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OW1 .25089 .04938 -.12957 .02611 .00352 .03803 -.00260 .01871 -.00484 |
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OW2 .11209 .04923 .31091 .01533 .00507 .02070 -.00038 .00127 -.00401 |
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OW3 .17529 -.11732 .09135 .04033 .00439 .01428 .00749 .00947 .00179 |
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OW4 .25760 .25577 .84407 .01071 .00335 .01089 -.00005 .00220 .00055 |
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OW5 .03495 .30719 .44316 .00954 .00318 .01019 -.00122 .00009 -.00020 |
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OW6 .21791 .43565 .69570 .01343 .00230 .02071 -.00061 .00652 .00247 |
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OW7 .37811 .38822 .33431 .01445 .00248 .01668 .00055 .00850 .00157 |
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H1 .337 .018 -.175 |
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H2 .276 .117 -.134 |
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H3 .233 .063 .350 |
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H4 .065 .095 .358 |
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H5 .170 -.141 .205 |
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H6 .225 -.147 .014 |
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H7 .343 .231 .935 |
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H8 .160 .277 .908 |
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H9 -.040 .259 .440 |
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H10 .011 .302 .311 |
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H11 .300 .477 .789 |
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H12 .055 .431 .709 |
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H13 .337 .440 .315 |
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H14 .460 .389 .237 |
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Romerite |
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Mauro D, Biagioni C, Pasero M, Zaccarini F |
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Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 125 (2019) 5-11 |
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Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II. |
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Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14 |
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Locality: Apuan Alps, Tuscany, Italy |
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_database_code_amcsd 0021047 |
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6.4512 15.3227 6.3253 90.131 100.900 85.966 P-1 |
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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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Fe1 0 0 0 .937 .02334 .02399 .02376 .02183 .00261 .00480 -.00112 |
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Mg1 0 0 0 .063 .02334 .02399 .02376 .02183 .00261 .00480 -.00112 |
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Fe2 .33834 .32049 .59415 .01584 .01359 .01829 .01571 -.00087 .00304 -.00113 |
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S1 .59254 .16805 .36383 .01818 .01640 .02030 .01781 .00112 .00407 -.00117 |
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S2 .75975 .38681 .90753 .01631 .01231 .01854 .01806 .00022 .00325 -.00071 |
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O1 .43250 .20875 .48398 .0265 .0261 .0232 .0334 .0000 .0146 -.0071 |
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O2 .5827 .21823 .16491 .0373 .0318 .0565 .0225 .0095 .0069 .0145 |
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O3 .80602 .17060 .49456 .0267 .0192 .0324 .0268 -.0017 .0002 .0050 |
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O4 .5391 .07822 .3233 .0393 .0312 .0252 .0651 -.0052 .0175 -.0192 |
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O5 .62150 .33040 .75706 .0310 .0189 .0399 .0319 -.0049 -.0021 -.0107 |
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O6 .64340 .42237 .06784 .0289 .0297 .0265 .0355 -.0020 .0185 -.0073 |
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O7 .82501 .45656 .7822 .0315 .0295 .0258 .0426 .0026 .0171 .0112 |
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O8 .94463 .33050 .00823 .0256 .0173 .0357 .0222 .0071 .0024 .0046 |
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OW1 .2481 .04966 .8682 .0490 .0472 .0371 .0740 -.0117 .0370 -.0198 |
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OW2 .1125 .04925 .3104 .0406 .0287 .0560 .0351 -.0002 .0023 -.0191 |
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OW3 .1762 .88257 .0914 .0520 .0809 .0464 .0277 .0377 .0232 .0122 |
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OW4 .25766 .25557 .84328 .02528 .0219 .0343 .0204 .0029 .0075 .0035 |
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OW5 .03497 .30762 .44176 .02332 .0172 .0313 .0202 -.0057 -.0012 .0027 |
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OW6 .21832 .43552 .6971 .0276 .0235 .0241 .0384 -.0034 .0131 -.0114 |
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OW7 .37797 .38788 .33444 .0282 .0292 .0278 .0311 .0064 .0174 .0100 |
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H1 .335 .0094 .829 .070 |
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H2 .330 .079 .975 .17 |
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H3 .253 .057 .333 .079 |
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H4 .048 .081 .400 .084 |
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H5 .182 .8627 .219 .049 |
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H6 .238 .8469 .006 .065 |
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H7 .365 .2400 .959 .056 |
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H8 .150 .2793 .897 .047 |
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H9 -.035 .2640 .478 .046 |
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H10 .005 .3159 .298 .037 |
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H11 .082 .4389 .730 .059 |
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H12 .273 .473 .809 .087 |
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H13 .313 .4415 .290 .081 |
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H14 .476 .3806 .248 .055 |
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| Download AMC data (View Text File)
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Romerite |
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Mereiter K |
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ICSD Communications 2018 (2018) https://dx.doi.org/10.25505/fiz.icsd.cc20vqsd |
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Experimental crystal structure determination |
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Locality: synthetic |
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_database_code_amcsd 0020887 |
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6.3190 6.4521 15.3158 85.855 89.828 79.065 P-1 |
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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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Fe1 0 0 0 .01963 .01784 .02101 .01980 -.00446 .00143 .00209 |
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Fe2 .40626 .33832 .32060 .01281 .01251 .01120 .01500 -.00280 .00139 -.00134 |
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S1 .63681 .59250 .16811 .01532 .01463 .01411 .01732 -.00376 .00168 .00075 |
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S2 .09271 .75972 .38688 .01327 .01455 .01004 .01536 -.00294 .00101 -.00025 |
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O1 .51663 .43248 .20887 .02335 .0294 .0235 .0205 -.0139 .0074 -.0005 |
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O2 .83555 .58272 .21829 .0342 .0190 .0288 .0535 -.0057 -.0134 .0085 |
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O3 .50583 .80585 .17073 .02365 .0229 .0170 .0295 .0002 -.0047 -.0020 |
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O4 .6762 .53918 .07834 .0362 .0610 .0285 .0230 -.0172 .0202 -.0060 |
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O5 .24355 .62128 .33058 .0280 .0289 .0165 .0366 .0020 .0104 -.0052 |
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O6 -.06781 .64333 .42244 .0259 .0320 .0275 .0234 -.0184 .0077 -.0028 |
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O7 .2178 .82517 .45657 .0284 .0390 .0268 .0230 -.0168 -.0109 .0021 |
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O8 -.00823 .94473 .33057 .02246 .0187 .0150 .0322 -.0023 -.0047 .0064 |
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O1W .1308 .24896 .04965 .0470 .0741 .0461 .0331 -.0388 .0213 -.0134 |
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H1 .1830 .3195 .01363 .070 |
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H2A .1821 .2612 .09626 .5 .13 |
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H2B .0457 .3268 .07674 .5 .10 |
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O2W -.3114 .11259 .04925 .0376 .0317 .0267 .0525 -.0021 .0194 -.0006 |
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H3 -.3437 .2356 .0575 .072 |
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H4 -.3841 .0499 .0802 .073 |
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O3W -.09204 .1763 -.11736 .0489 .0239 .0790 .0429 -.0228 -.0116 .0373 |
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H5 -.2126 .1893 -.1357 .049 |
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H6 -.0236 .2299 -.1534 .056 |
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O4W .15760 .25733 .25584 .02216 .0168 .0194 .0311 -.0074 -.0036 .0030 |
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H7 .0557 .3501 .2450 .050 |
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H8 .1151 .1590 .2798 .041 |
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O5W .55840 .03488 .30787 .02032 .0167 .0151 .0280 .0017 -.0023 -.0065 |
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H9 .5335 -.0323 .26853 .052 |
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H10 .6852 .0066 .3179 .035 |
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O6W .30351 .21837 .43568 .0246 .0355 .0213 .0204 -.0129 .0119 -.0045 |
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H11 .2268 .2800 .4709 .062 |
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H12 .2879 .0979 .4391 .047 |
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O7W .66570 .37782 .38786 .0254 .0282 .0267 .0249 -.0176 -.0096 .0065 |
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H13 .6857 .3257 .43686 .057 |
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H14 .7325 .4714 .3816 .052 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Romerite |
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Wang Q, Li W |
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Kexue Tongbao 33 (1988) 1783-1787 |
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Crystal structure of a new ferric sulfate mineral |
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Note: atomic positions of H atoms are from ICSD |
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Locality: Xitieshan mine, Qinghai, China |
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_database_code_amcsd 0021048 |
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6.448 15.248 6.307 90.14 100.93 94.12 P-1 |
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atom x y z occ Biso |
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Fe1 0 0 0 .68 |
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Fe2 .66186 .31973 .40413 |
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S1 .4075 .16743 .6331 |
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S2 .2400 .38624 .0916 |
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O1 .5692 .2075 .5137 |
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O2 .41674 .2186 .8310 |
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O3 .1950 .1693 .5005 |
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O4 .5391 -.0774 .3243 |
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O5 .3791 .3298 .2417 |
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O6 .3567 .4223 .9310 |
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O7 .1749 .4564 .2179 |
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O8 .0544 .3301 -.0106 |
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O9 .7524 .0492 .1298 |
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O10 .1120 -.0475 .3105 |
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O11 .1780 .1167 .0868 |
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O12 .7427 .2542 .1541 |
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O13 .9652 .3072 .5561 |
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O14 .7806 .4354 .3013 |
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O15 .6217 .3876 .6632 |
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H1 .337 -.018 .9 4.2 |
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H2 .276 -.117 -.134 4.2 |
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H3 .233 -.063 .350 3.5 |
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H4 .065 -.095 .358 3.5 |
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H5 .170 .141 .205 4.3 |
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H6 .225 .147 .014 4.3 |
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H7 .343 -.231 .935 2.2 |
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H8 .160 -.277 .908 2.2 |
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H9 -.040 -.259 .44 2.1 |
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H10 .011 -.302 .311 2.1 |
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H11 .300 -.477 .789 2.4 |
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H12 .055 -.431 .709 2.4 |
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H13 .337 -.440 .315 2.3 |
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H14 .460 -.389 .237 2.3 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Romerite |
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Westland R E |
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Master's Thesis, Queen's University 2012 (2012) 1-161 |
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New phases in the hydrous ferric sulfate system, a supporting argument that |
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the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure |
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refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite |
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Locality: Alcaparossa, Chile |
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_database_code_amcsd 0021046 |
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6.4274 15.2490 6.3464 89.72 100.79 85.96 P-1 |
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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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Fe(1) 0 0 0 .016 .016 .016 .015 .002 .003 -.001 |
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Fe(2) .3414 .3197 .5970 .011 .010 .013 .011 .000 .002 -.001 |
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S(1) .5952 .1674 .3652 .013 .011 .014 .012 .001 .003 -.001 |
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S(2) .7628 .3864 .9083 .012 .009 .013 .012 .000 .002 -.001 |
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O(1) .4336 .2073 .4864 .017 .017 .016 .021 .000 .009 -.005 |
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O(1W) .2460 .0514 -.1321 .041 .040 .029 .067 -.013 .037 -.022 |
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O(2) .5859 .2194 .1676 .022 .020 .032 .015 .005 .004 .006 |
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O(2W) .1134 .0489 .3090 .031 .019 .045 .029 .002 .001 -.019 |
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O(3) .8095 .1694 .4974 .018 .014 .022 .017 -.001 .001 .003 |
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O(3W) .1803 -.1170 .0906 .040 .066 .036 .018 .031 .019 .010 |
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O(4) .5411 .0773 .3218 .024 .021 .017 .038 -.003 .011 -.011 |
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O(4W) .2598 .2539 .8459 .018 .014 .024 .015 .003 .006 .002 |
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O(5) .6269 .3284 .7588 .019 .012 .023 .021 -.002 -.001 -.006 |
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O(5W) .0364 .3084 .4459 .016 .013 .021 .014 -.005 .000 .002 |
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O(6) .6421 .4222 .0656 .018 .017 .018 .022 -.001 .010 -.004 |
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O(6W) .2231 .4352 .7000 .018 .014 .018 .024 -.002 .007 -.008 |
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O(7) .8276 .4568 .7805 .020 .017 .018 .025 .002 .009 .005 |
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O(7W) .3824 .3881 .3390 .019 .020 .020 .021 .005 .012 .006 |
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O(8) .9504 .3311 .0139 .016 .012 .023 .014 .003 .001 .002 |
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H(1) .3180 .0230 -.1890 .057 |
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H(2A) .3090 .0550 -.0180 .5 .059 |
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H(2B) .2720 .0984 -.1480 .5 .059 |
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H(3) .2300 .0570 .3450 .050 |
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H(4) .0550 .0740 .3850 .054 |
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H(5) .1840 -.1354 .2000 .039 |
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H(6) .2290 -.1520 .0210 .048 |
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H(7) .3570 .2402 .9510 .042 |
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H(8) .1660 .2742 .8830 .034 |
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H(9) -.0220 .2722 .4710 .028 |
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H(10) .0110 .3184 .3130 .027 |
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H(11) .2790 .4680 .7680 .041 |
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H(12) .0920 .4397 .7190 .043 |
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H(13) .3310 .4340 .3090 .048 |
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H(14) .4730 .3802 .2680 .034 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Romerite |
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Biagioni C, Mauro D, Pasero M |
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Minerals 10 (2020) 1092 |
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Sulfates from the pyrite ore deposits of the Apuan Alps (Tuscany, Italy): A review |
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Locality: Locality: Monte Arsiccio mine, Tuscany, Italy |
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_database_code_amcsd 0021053 |
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6.4593 15.3310 6.3279 90.107 100.948 85.818 P-1 |
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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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Fe1 0 0 0 .893 .0220 .0228 .0234 .0194 .0024 .0046 -.0014 |
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Mg1 0 0 0 .107 .0220 .0228 .0234 .0194 .0024 .0046 -.0014 |
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Fe2 .33832 .32050 .59420 .01490 .0130 .0180 .0138 -.00112 .00307 -.00147 |
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S1 .59259 .16800 .36398 .01743 .0159 .0203 .0161 .0010 .0040 -.0015 |
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S2 .75973 .38687 .90752 .01561 .0113 .0187 .0169 -.0002 .0031 -.0013 |
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O1 .4322 .20864 .4842 .0257 .0258 .0221 .0327 -.0002 .0150 -.0080 |
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O2 .5828 .21804 .1650 .0356 .0309 .0567 .0184 .0087 .0070 .0143 |
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O3 .8059 .17048 .4945 .0250 .0177 .0314 .0242 -.0026 -.0011 .0052 |
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O4 .5388 .07838 .3241 .0380 .0308 .0256 .0614 -.0053 .0174 -.0199 |
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O5 .6207 .33081 .7570 .0307 .0194 .0402 .0305 -.0050 -.0015 -.0106 |
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O6 .6438 .42232 .0681 .0275 .0291 .0251 .0334 -.0025 .0186 -.0076 |
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O7 .8253 .45630 .7820 .0304 .0274 .0265 .0408 .0016 .0164 .0114 |
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O8 .9447 .33050 .0080 .0246 .0173 .0344 .0210 .0054 .0039 .0050 |
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OW1 .2487 .04975 .8690 .0474 .0477 .0364 .069 -.0111 .0374 -.0200 |
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OW2 .1124 .04941 .3097 .0396 .0278 .0558 .0334 -.0010 .0027 -.0195 |
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OW3 .1762 .88282 .0909 .0492 .076 .0470 .0236 .0354 .0218 .0116 |
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OW4 .2574 .25575 .8429 .0243 .0220 .0339 .0179 .0021 .0079 .0031 |
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OW5 .0354 .30767 .4423 .0224 .0168 .0299 .0192 -.0064 -.0014 .0024 |
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OW6 .2181 .43558 .6966 .0268 .0235 .0237 .0359 -.0030 .0122 -.0113 |
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OW7 .3776 .38785 .3351 .0271 .0277 .0277 .0291 .0055 .0159 .0087 |
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H1 .310 .011 .788 .080 |
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H2 .099 .057 .85 .51 |
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H3 .25 .062 .352 .079 |
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H4 .037 .080 .400 .10 |
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H5 .162 .859 .219 .066 |
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H6 .219 .839 .008 .072 |
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H7 .359 .238 .959 .068 |
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H8 .144 .283 .899 .046 |
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H9 -.036 .2612 .467 .027 |
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H10 .006 .317 .296 .058 |
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H11 .076 .439 .712 .054 |
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H12 .272 .478 .791 .10 |
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H13 .314 .4438 .308 .065 |
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H14 .477 .379 .252 .053 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Total number of retrieved datasets: 