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Pascoite |
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Hughes J M, Schindler M, Francis C A |
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The Canadian Mineralogist 43 (2005) 1379-1386 |
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The C2/m disordered structure of pascoite, Ca3[V10O28]*17H2O: |
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Bonding between structural units and interstitial complexes |
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in compounds containing the [V10O28]6- decavanadanate polyanion |
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Locality: Minasragra, Peru |
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_database_code_amcsd 0006048 |
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19.5859 10.1405 10.9110 90 120.815 90 C2/m |
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atom x y z occ Uiso |
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Ca1 0 .5 .5 .0397 |
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Ca2 .76544 .5 .90375 .02429 |
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V1 .5 .33651 0 .01878 |
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V2 .54184 .5 .79952 .01806 |
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V3 .65968 .5 .12557 .01982 |
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V4 .38252 .34975 .67524 .02917 |
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O1 .72992 .5 .0882 .0276 |
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O2 .55118 .5 .14160 .0175 |
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O3 .41518 .37824 .03121 .0185 |
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O4 .44846 .23734 .85724 .0260 |
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O5 .61929 .5 .7822 .0254 |
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O6 .48079 .36781 .68558 .0236 |
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O7 .68615 .63212 .25285 .0271 |
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O8 .34433 .5 .5690 .0324 |
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O9 .34214 .2333 .56159 .0452 |
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O10 .8632 .5 .4389 .0714 |
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O11 .9871 .5 .2723 .0747 |
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O12A .7257 .6418 .7095 .5 .0464 |
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O12B .7143 .6970 .7557 .5 .0356 |
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O13A 0 .7216 .5 .5 .074 |
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O13B .9218 .7063 .3643 .5 .0647 |
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O14 .83935 .67191 .0643 .0468 |
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O15 .8824 .5 .8880 .0752 |
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H10 .8736 .440 .400 .05 |
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H11 .9572 .554 .218 .05 |
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H12A .7503 .712 .739 .05 |
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H12B .6926 .6736 .7140 .05 |
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H13A .9608 .737 .440 .05 |
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H13B .8752 .7400 .3234 .5 .05 |
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H14A .8672 .728 .063 .05 |
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H14B .8330 .689 .124 .05 |
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H15 .9065 .562 .886 .05 |
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| Download AMC data (View Text File)
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