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Malachite |
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Susse P |
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Acta Crystallographica 22 (1967) 146-151 |
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Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3 |
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_database_code_amcsd 0009305 |
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9.502 11.974 3.240 90 98.75 90 P2_1/a |
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atom x y z Biso |
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Cu1 .49807 .28787 .89313 1.082 |
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Cu2 .23229 .39321 .38832 1.043 |
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Oh1 .09400 .35169 .9160 .38 |
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Oh2 .37653 .41610 .8649 .46 |
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H1 .02 .38 .71 4.0 |
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H2 .41 .50 .86 4.0 |
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C .2666 .14042 .4710 .52 |
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O1 .13123 .13627 .3381 .55 |
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O2 .33267 .23506 .4446 .53 |
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O3 .33414 .05557 .6289 .64 |
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Zincobotryogen |
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Susse P |
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Acta Crystallographica B24 (1968) 760-767 |
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Die kristallstruktur des botryogens |
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Locality: Rammelsberg mine near Goslar, Germany |
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_database_code_amcsd 0009339 |
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10.526 17.872 7.136 90 100.13 90 P2_1/n |
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atom x y z occ Biso |
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Zn2 .4078 .1821 .3485 .47 1.63 |
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Mn2 .4078 .1821 .3485 .25 1.63 |
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Mg2 .4078 .1821 .3485 .20 1.63 |
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Fe2 .4078 .1821 .3485 .08 1.63 |
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Fe11 0 0 0 1.43 |
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Fe12 0 0 .5 1.53 |
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S1 .0929 .1385 .2799 .19 |
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S2 .7085 .0685 .8845 .25 |
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O1 .0110 .1059 .1106 .84 |
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O2 .2162 .1613 .2330 1.47 |
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O3 .1175 .0807 .4290 1.26 |
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O4 .0247 .2019 .3440 1.97 |
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O5 .7432 .1148 .7291 1.48 |
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O6 .8075 .0085 .9309 1.23 |
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O7 .7077 .1128 .0542 1.88 |
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O8 .5829 .0338 .8219 1.45 |
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OH9 .0219 .0432 .7510 1.05 |
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Wat1 .4516 .1161 .1273 1.81 |
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Wat2 .5975 .2055 .4582 2.02 |
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Wat3 .3374 .2473 .5570 1.81 |
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Wat4 .8318 .0617 .4213 1.58 |
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Wat5 .9129 .2246 .6719 1.89 |
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Wat6 .2068 .1606 .8244 2.53 |
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Wat7 .4036 .0888 .5264 2.47 |
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Amarantite |
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Susse P |
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Zeitschrift fur Kristallographie 127 (1968) 261-275 |
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The crystal structure of amarantite, Fe2(SO4)2O*7H2O |
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Locality: Quetena, Chile |
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_database_code_amcsd 0010666 |
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8.976 11.678 6.698 95.65 90.36 97.20 P-1 |
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atom x y z Biso |
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Fel .9128 .9361 .1442 1.9 |
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Fe2 .9259 .2369 .2250 2.0 |
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S1 .8322 .6508 .0794 .4 |
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S2 .2113 .9325 .4461 .4 |
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O1 .0250 .3415 .0353 1.7 |
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O2 .2930 .4066 .0473 1.6 |
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O3 .8038 .7719 .1465 1.0 |
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O4 .8523 .5931 .2590 1.7 |
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O5 .8321 .9630 .4341 .7 |
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O6 .7809 .1609 .4182 1.3 |
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O7 .3542 .9589 .3537 1.5 |
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O8 .0919 .8889 .2922 .9 |
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O9 .9863 .0955 .1119 .7 |
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O10 .5355 .7786 .3971 1.9 |
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O11 .8831 .3872 .3945 1.7 |
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O12 .7375 .2333 .0482 1.8 |
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O13 .2815 .6249 .2616 1.9 |
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O14 .7039 .9606 .0272 1.5 |
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O15 .4551 .2339 .1879 2.1 |
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O16 .1150 .2519 .4085 1.1 |
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H1 .88 .46 .32 |
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H2 .82 .38 .52 |
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H3 .64 .21 .12 |
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H4 .73 .31 .03 |
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H5 .62 .78 .30 |
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H6 .51 .86 .39 |
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H7 .29 .54 .20 |
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H8 .38 .65 .34 |
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H9 .35 .11 .05 |
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H10 .32 .97 .05 |
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H11 .46 .23 .32 |
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H12 .42 .29 .16 |
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H13 .13 .18 .44 |
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H14 .12 .30 .52 |
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Ba3(VO4)2 |
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Susse P, Buerger M J |
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Zeitschrift fur Kristallographie 131 (1970) 161-174 |
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The struture of of Ba3(VO4)2 |
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_database_code_amcsd 0010708 |
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7.837 7.837 7.837 43.14 43.14 43.14 R-32/m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bal 0 0 0 1.65 .01662 .01662 .01662 -.00762 -.00762 -.00762 |
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Ba2 .20525 .20525 .20525 0.96 .01006 .01006 .01006 -.00434 -.00434 -.00434 |
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V .40758 .40758 .40758 1.42 .01419 .01419 .01419 -.00667 -.00667 -.00667 |
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O1 .3278 .3278 .3278 2.5 .02541 .02541 .02541 -.01164 -.01164 -.01164 |
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O2 .2735 .2735 .7566 1.0 .01059 .01059 .00953 -.00529 -.00423 -.00423 |
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Magnesiocopiapite |
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Susse P |
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Zeitschrift fur Kristallographie 135 (1972) 34-55 |
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Crystal structure and hydrogen bonding of copiapite |
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Locality: Alcaparrosa, Chile |
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_database_code_amcsd 0010726 |
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7.342 18.818 7.389 91.45 102.15 98.85 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 0 0 1.95 .008475 .001589 .009953 .000989 .001714 .000635 |
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Fe1 .6861 .3326 .4944 .95 .004138 .001067 .003414 .000399 .000098 .000411 |
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Fe2 .6833 .6800 .8980 .89 .002393 .001067 .004808 .000342 -.000196 .000448 |
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S1 .9461 .7338 .3113 1.13 .004437 .001284 .004472 .000285 .000636 .000579 |
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S2 .7221 .4200 .1318 1.09 .004337 .001139 .004664 .000209 .000539 .000598 |
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S3 .5945 .2057 .1675 1.12 .003838 .001103 .005770 .000456 .000441 .000299 |
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O1 .774 .6993 .172 1.72 .003539 .002039 .011588 .000019 .000343 .000504 |
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O2 .881 .7607 .469 1.81 .014307 .001531 .005674 .001369 .003525 .000560 |
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O3 .944 .3248 .631 1.79 .007527 .001132 .014233 .001217 .002056 .001009 |
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O4 .943 .2103 .771 1.87 .008774 .001880 .008463 -.000666 .002840 .001139 |
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O5 .551 .3702 .037 .90 .001944 .001923 .005001 -.000076 -.001811 .000448 |
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O6 .671 .4905 .166 1.84 .015703 .000769 .009040 .000837 .001567 .000112 |
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O7 .807 .3917 .311 1.37 .006281 .001364 .005097 .000418 .000098 .000467 |
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O8 .857 .4254 .011 1.30 .005882 .002221 .006347 .000285 .003525 .001980 |
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O9 .580 .1272 .178 1.72 .007826 .000849 .012935 .000571 .000636 .000093 |
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O10 .597 .7757 .893 1.09 .003539 .001415 .004231 .000152 -.000343 .000019 |
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O11 .712 .2317 .038 1.54 .005085 .001894 .006972 .000552 .001860 .000486 |
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O12 .682 .2406 .357 1.55 .008724 .001495 .005530 .001426 .000685 .000392 |
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OH13 .567 .6562 .635 1.41 .007029 .001451 .005674 -.000380 .002497 .000579 |
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Wat14 .572 .2788 .694 1.74 .010518 .001669 .006251 .000361 .003721 -.000056 |
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Wat15 .706 .4262 .647 1.87 .010219 .001611 .007261 .000989 .001371 .000766 |
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Wat16 .758 .9491 .076 2.69 .010070 .002431 .013800 -.000590 .002889 -.000131 |
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Wat17 .778 .5834 .919 1.64 .006082 .001335 .012117 .001141 .002154 .001420 |
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Wat18 .854 .9923 .728 3.42 .022383 .002395 .013848 .002492 .001469 .000766 |
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Wat19 .919 .7206 .818 1.85 .006481 .001901 .011300 -.000209 .003672 .001177 |
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Wat20 .912 .0976 .035 3.04 .021784 .001502 .017406 .001826 .006609 .000467 |
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Wat21 .725 .8934 .418 3.10 .017099 .001959 .014858 .000685 .002497 .000205 |
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Wat22 .768 .5601 .509 2.22 .015753 .001386 .009809 .000666 .004651 .000654 |
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Wat23 .657 .1007 .570 3.11 .018445 .002017 .016204 .001008 .002497 .002335 |
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Richelsdorfite |
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Susse P, Tillmann B |
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Zeitschrift fur Kristallographie 179 (1987) 323-334 |
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The crystal structure of the new mineral richelsdorfite, |
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Ca2Cu5Sb(Cl/(OH)6/(AsO4)4)*6H2O |
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Locality: Iba, near Richelsdorf, Hessen, Germany |
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_database_code_amcsd 0010965 |
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14.079 14.203 13.470 90 101.05 90 C2/m |
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atom x y z Biso |
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Ca .0408 .2431 .2320 1.38 |
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Cu1 .2904 0 .2369 .70 |
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Cu2 .1452 .3852 .0570 .82 |
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Cu3 .3723 .3867 .0562 .80 |
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Sb .25 .25 .5 1.32 |
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As1 .0673 0 .1319 .54 |
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As2 .4809 0 .1322 .53 |
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As3 .2735 .2062 .1324 .49 |
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O1 .1166 0 .0242 .52 |
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O2 .1538 0 .2361 1.12 |
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O3 .0030 .1010 .1296 1.39 |
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O4 .3967 0 .0227 .66 |
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O5 .4275 0 .232 .80 |
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O6 .0453 .3989 .1358 1.56 |
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O7 .2886 .1386 .2346 1.24 |
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O8 .2565 .1422 .0247 .98 |
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O9 .1680 .2670 .1292 1.13 |
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O10 .3760 .2691 .1326 1.47 |
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OH11 .3666 .1817 .4805 2.69 |
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OH12 .1839 .2174 .3617 1.31 |
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OH13 .3033 .3633 .4458 3.84 |
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Cl .2790 .5 .1575 2.06 |
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Wat14 .3307 0 .4047 2.93 |
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Wat15 .1007 0 .4242 2.21 |
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Wat16 .4988 .1500 .3513 2.66 |
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Wat17 .4715 .3525 .3493 2.94 |
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|
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Slavikite |
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Susse P |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1973 (1973) 93-95 |
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Slavikit: kristallstruktur und chemische formel |
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Locality: La Alcaparros, Argentina |
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_database_code_amcsd 0014747 |
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12.20 12.20 35.130 90 90 120 R-3 |
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atom x y z occ Biso |
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Na 0 0 .4559 .5 2. |
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Mg 0 0 .3434 2. |
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Fe1 0 0 .1951 2. |
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Fe2 .5 0 .5 2. |
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S1 0 0 0 2. |
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S2 .448 .388 .1041 2. |
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O1 .364 .339 .0713 2. |
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O2 .508 .524 .1077 2. |
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O3 .547 .351 .1003 2. |
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O4 .371 .326 .1397 2. |
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O5 .938 .902 .0266 1/3 2. |
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O6 .874 .943 .0128 1/3 2. |
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OH7 .707 .484 .1688 2. |
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Wat8 .462 .646 .0434 2. |
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Wat9 .700 .482 .0260 2. |
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Wat10 .756 .683 .1160 2. |
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Wat11 .106 .196 .0921 2. |
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Wat12 .683 .692 .0068 2. |
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Wat13 .556 .774 .1448 .5 2. |
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|
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Slavikite |
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Susse P |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1975 (1975) 27-40 |
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Struktur und kristallchemie des slavikits, NaMg2Fe5(SO4)7(OH)6(H2O)33 |
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Locality: La Alcaparrosa, San Juan, Argentina |
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_database_code_amcsd 0014752 |
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12.20 12.20 35.13 90 90 120 R-3 |
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atom x y z occ Biso |
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Na 0 0 .463 .5 22 |
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Mg 0 0 .3431 1.6 |
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Fe1 0 0 .1951 1.8 |
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Fe2 .5 0 .5 1.98 |
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S1 0 0 0 2.63 |
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S2 .4476 .3872 .1040 2.51 |
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O1 .362 .340 .0710 4.1 |
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O2 .508 .526 .1081 3.5 |
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O3 .547 .349 .1001 2.9 |
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O4 .373 .328 .1400 2.4 |
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O5 .938 .903 .031 1/3 6 |
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O6 .865 .947 .014 1/3 11 |
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OH7 .706 .484 .1690 2.8 |
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Wat8 .462 .647 .0436 4.4 |
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Wat9 .700 .483 .0262 4.0 |
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Wat10 .756 .680 .1162 3.1 |
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Wat11 .106 .195 .0922 3.5 |
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Wat12 .682 .690 .0064 3.8 |
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Wat13 .549 .768 .1461 .5 6.8 |
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|
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|
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