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Hohmannite |
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Ventruti G, Ventura G D, Orlando R, Scordari F |
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Mineralogical Magazine 79 (2015) 11-24 |
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Structure refinement, hydrogen-bond system and vibrational spectroscopy of |
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hohmannite, Fe3+2[O(SO4)2]*8H2O |
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Locality: Sierra Gorda, Chile |
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_database_code_amcsd 0021030 |
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9.1428 10.9346 7.2168 90.547 90.612 107.375 P-1 |
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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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Fe1 .40222 .45707 .33834 .0132 .01412 .01191 .01111 .00003 -.00076 -.00013 |
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Fe2 .66913 .76067 .30451 .0146 .01654 .01175 .01194 -.00124 .00023 .00038 |
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S3 .14032 .17441 .30892 .0157 .01514 .01352 .01436 -.00182 -.00134 -.00162 |
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S4 .59142 .35448 .01969 .0134 .01497 .01293 .01162 .00330 -.00028 .00035 |
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O5 .16357 .16955 .51212 .0261 .0250 .0285 .0144 -.0075 -.0030 .0003 |
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O6 .97969 .15706 .2686 .0284 .0172 .0269 .0357 -.0014 -.0054 -.0006 |
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O7 .23354 .30203 .24307 .0221 .0236 .0155 .0195 -.0056 -.0018 .0007 |
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O8 .19269 .07563 .2166 .0279 .0381 .0197 .0254 .0077 .0054 -.0027 |
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O9 .35349 .52742 .08989 .0243 .0256 .0202 .0201 -.0039 -.0051 .0081 |
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O10 .55299 .72765 .06396 .0235 .0250 .0212 .0157 -.0060 -.0053 .0016 |
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O11 .70509 .28674 .0294 .0306 .0348 .0381 .0283 .0255 .0004 -.0017 |
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O12 .56049 .38986 .21013 .0197 .0214 .0254 .0131 .0081 -.0012 -.0042 |
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O13 .55748 .61234 .42567 .0144 .0162 .0117 .0117 -.0015 -.0008 .0010 |
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O14 .7418 .2431 .4471 .0499 .0485 .0387 .0640 .0145 .0193 .0003 |
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O15 .77807 .92986 .16374 .0294 .0370 .0202 .0170 -.0129 -.0009 .0022 |
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O16 .53901 .86434 .4068 .0287 .0361 .0235 .0295 .0129 .0110 .0052 |
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O17 .4882 .0398 .1897 .0439 .0538 .0425 .0448 .0278 .0121 .0145 |
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O18 .22425 .51219 .4441 .0281 .0217 .0304 .0330 .0091 -.0009 -.0086 |
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O19 .1124 .80474 .2176 .0386 .0276 .0276 .0592 .0061 .0077 -.0045 |
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O20 .81760 .67875 .1759 .0280 .0208 .0324 .0283 .0045 .0001 -.0102 |
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O21 .9830 .4760 .2061 .0669 .0421 .0652 .0878 .0081 -.0164 .0013 |
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H22 .795 .229 .538 .06 |
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H23 .788 .222 .357 .06 |
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H24 .791 .923 .052 .04 |
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H25 .842 .986 .202 .04 |
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H26 .519 .917 .337 .03 |
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H27 .460 .838 .459 .03 |
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H28 .418 .067 .208 .05 |
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H29 .516 .054 .099 .05 |
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H30 .152 .503 .372 .03 |
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H31 .239 .579 .491 .03 |
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H32 .166 .782 .144 .05 |
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H33 .124 .876 .213 .05 |
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H34 .904 .708 .188 .03 |
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H35 .797 .657 .076 .03 |
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H36 .960 .429 .108 .08 |
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H37 .904 .494 .242 .08 |
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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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