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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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