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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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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
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Ferricopiapite |
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Majzlan J, Navrotsky A, McCleskey R B, Alpers C N |
| |
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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7.3867 18.363 7.3275 93.940 102.201 98.916 P-1 |
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atom x y z occ Uiso |
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Fe1 0 0 0 .619 .0299 |
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Fe2 .7852 .31526 .5522 .0299 |
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Fe3 .5975 .67010 .8063 .0299 |
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S1 .8347 .7377 .2221 .0347 |
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S2 .8202 .4161 .2173 .0347 |
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S3 .6417 .1943 .1948 .0347 |
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O1 .741 .6755 .076 .0458 |
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O2 .685 .7644 .302 .0458 |
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O3 .053 .2961 .626 .0458 |
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O4 .055 .2053 .856 .0458 |
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O5 .621 .3915 .114 .0458 |
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O6 .836 .4896 .323 .0458 |
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O7 .883 .3609 .342 .0458 |
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O8 .937 .4245 .081 .0458 |
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O9 .560 .1156 .167 .0458 |
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O10 .510 .7613 .869 .0458 |
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O11 .791 .2163 .091 .0458 |
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O12 .723 .2169 .402 .0458 |
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O13 .468 .6594 .543 .0458 |
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O14 .692 .2725 .764 .0458 |
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O15 .866 .4144 .722 .0458 |
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O16 .225 .9516 .080 .0458 |
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O17 .696 .5723 .758 .0458 |
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O18 .041 .9885 .737 .0458 |
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O19 .834 .7266 .731 .0458 |
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O20 .173 .0938 .061 .0458 |
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O21 .768 .9160 .444 .0458 |
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O22 .536 .5621 .284 .0458 |
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O23 .642 .0732 .593 .0458 |
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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
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Coquimbite |
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Majzlan J, Navrotsky A, McCleskey R B, Alpers C N |
| |
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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10.9153 10.9153 17.0770 90 90 120 P-31c |
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atom x y z occ Uiso |
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Fe1 0 0 0 .086 .0353 |
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Al1 0 0 0 .914 .0353 |
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Fe2 1/3 2/3 1/4 .0353 |
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Fe3 2/3 1/3 .0033 .928 .0353 |
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Al3 2/3 1/3 .0033 .072 .0353 |
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S .2451 .4145 .1225 .0339 |
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O1 .3191 .3452 .0918 .0401 |
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O2 .1056 .3076 .1552 .0401 |
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O3 .2235 .4942 .0587 .0401 |
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O4 .3360 .5145 .1833 .0401 |
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Wat5 .1653 .0702 .0635 .0401 |
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Wat6 .4512 .1187 .2122 .0401 |
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Wat7 .5698 .1613 .0737 .0401 |
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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
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