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Kuzelite |
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Allmann R |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 136-144 |
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Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- |
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Note: z(Wat1) adjusted to match reported bond lengths |
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_database_code_amcsd 0014757 |
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5.7586 5.7586 26.7946 90 90 120 R-3 |
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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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Ca 2/3 1/3 .02134 .006433 .006433 .000783 .003217 0 0 |
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Al 0 0 0 .005730 .005730 .000662 .002865 0 0 |
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Oh .2511 -.0547 .03731 .009147 .010755 .000742 .005428 -.000056 .000318 |
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H .211 -.115 .0667 3.2 |
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S 0 0 .4955 .25 .019702 .019702 .000961 .000985 0 0 |
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O1 0 0 .5486 .25 .061316 .061316 .000592 .030658 0 0 |
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O2 .2688 .1821 .4771 .25 .035986 .046640 .001765 .015982 .000430 -.000075 |
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Wat2 .2688 .1821 .4771 1/6 .035986 .046640 .001765 .015982 .000430 -.000075 |
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Wat1 2/3 1/3 .11452 .038498 .038498 .000992 .019249 0 0 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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