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Rhomboclase |
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Peterson R C, Valyashko E, Wang R |
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The Canadian Mineralogist 47 (2009) 625-634 |
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The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O |
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Note: T = 180 K |
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Locality: Alcoparrosa, Chile |
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_database_code_amcsd 0006292 |
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9.6870 18.2040 5.4250 90 90 90 Pnma |
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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 0 0 0 .010 .009 .015 .008 .001 .000 -.001 |
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S .2353 .0886 .2923 .011 .009 .015 .008 .000 .000 .000 |
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O1 .3227 .0232 .3417 .014 .011 .017 .014 .001 .003 -.001 |
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O2 .0930 .0608 .2482 .015 .010 .024 .012 -.005 .002 -.001 |
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O3 .2870 .1281 .0780 .018 .019 .021 .012 .005 -.005 -.002 |
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O4 .2272 .1353 .5114 .015 .013 .019 .012 -.005 .000 .002 |
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Ow1 .4904 .0903 .7262 .015 .013 .021 .012 -.003 .001 -.002 |
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Ow2 .6334 .25 .5449 .033 .022 .018 .060 0 .010 0 |
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Ow3a .3850 .25 .6056 .86 .024 .023 .017 .032 0 -.004 0 |
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Ow3b .391 .25 .480 .14 .024 .023 .017 .032 0 -.004 0 |
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H1 .428 .0965 .817 .031 |
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H2 .565 .1015 .787 .039 |
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H3 .681 .2131 .510 .045 |
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H4 .337 .2105 .552 .045 |
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H5 .495 .25 .56 .045 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Rhomboclase |
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Majzlan J, Navrotsky A, McCleskey R B, Alpers C N |
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European Journal of Mineralogy 18 (2006) 175-186 |
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Thermodynamic properties and crystal structure refinement of |
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ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 |
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Locality: synthetic |
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_database_code_amcsd 0007142 |
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9.7226 18.2800 5.4270 90 90 90 Pnma |
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atom x y z occ Uiso |
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Fe 0 0 0 .0296 |
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S .2375 .0868 .2849 .0330 |
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O1 .3264 .0217 .343 .0446 |
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O2 .0932 .0557 .253 .0446 |
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O3 .2881 .1203 .063 .0446 |
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O4 .2269 .1329 .505 .0446 |
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Wat5 .4884 .0869 .733 .75 .0446 |
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OH35 .4884 .0869 .733 .25 .0446 |
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Wat6 .6318 1/4 .550 .75 .0446 |
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OH36 .6318 1/4 .550 .25 .0446 |
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Wat7 .3916 1/4 .584 .671 .0446 |
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OH37 .3916 1/4 .584 .224 .0446 |
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Wat8 .428 1/4 .141 .079 .0446 |
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OH38 .428 1/4 .141 .026 .0446 |
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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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Rhomboclase |
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Mereiter K |
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Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 216-232 |
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Die Kristallstruktur von Rhomboklas, H5O2+{Fe[SO4]2*2H2O}- |
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Locality: synthetic |
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_database_code_amcsd 0015649 |
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9.724 18.3330 5.421 90 90 90 Pnma |
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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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Fe 0 0 0 .002062 .000751 .008337 .000126 -.000047 -.000277 |
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S .23640 .08857 .28941 .002432 .000722 .008422 .000028 -.000427 .000075 |
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O1 .32479 .02403 .33763 .002988 .000684 .015568 .000407 -.001897 .000377 |
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O2 .09503 .05992 .24729 .002062 .001592 .013696 .000056 -.000901 -.001811 |
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O3 .28600 .12742 .07466 .006028 .001897 .014122 .000463 .002514 .001761 |
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O4 .22899 .13521 .5079 .004283 .001339 .012846 -.000266 -.000285 -.001711 |
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O5 .49053 .09008 .72747 .003702 .001294 .011229 .000547 -.000711 -.000931 |
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O6 .6355 .25 .5502 .007958 .000350 .058274 .000000 .005407 .000000 |
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O7 .3859 .25 .5997 .81 .007430 .001205 .038283 .000000 -.001850 .000000 |
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O8 .3913 .25 .4673 .19 2.42 |
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H1 .406 .103 .832 3. |
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H2 .578 .105 .825 3. |
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H3 .69 .207 .507 3. |
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H4 .328 .208 .561 .81 3. |
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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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