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Molybdophyllite |
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Kolitsch U, Merlino S, Holtstam D |
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Mineralogical Magazine 76 (2012) 493-512 |
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Molybdophyllite: crystal chemistry, crystal structure, OD character and |
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modular relationships with britvinite |
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Sample 221135 |
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Locality: Harstigen, Filipstad, Sweden |
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_database_code_amcsd 0018886 |
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16.232 9.373 14.060 90 97.36 90 C2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .53822 .76414 .34453 .0255 .0295 .0232 .0226 .0004 -.0014 .0029 |
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Pb2 .26645 .24371 .34476 .0262 .0323 .0229 .0240 -.0013 .0049 .0017 |
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Pb3 .32704 .6395 .44455 .0400 .0588 .0505 .0091 -.0003 -.0019 .0014 |
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Pb4 .64230 .41228 .34460 .0259 .0327 .0215 .0224 .0013 -.0006 -.0032 |
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Mg1 .5 .308 .0 .019 |
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Mg2 .6644 .8048 .0057 .019 |
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Mg3 .5 .972 .0 .024 |
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Mg4 .1670 .9737 .0091 .022 |
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Mg5 .6663 .1407 -.0034 .021 |
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Mg6 .5 .639 .0 .019 |
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Si1 .6339 .9912 .1982 .025 .033 .013 .031 -.007 .008 .002 |
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Si2 .4646 .1385 .1896 .027 .040 .020 .020 .004 .006 -.003 |
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Si3 .2997 .6403 .1894 .019 .037 .012 .007 .004 -.002 -.004 |
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Si4 .3087 .9607 .1978 .023 .037 .019 .015 .000 .006 -.009 |
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Si5 .4568 .4634 .1973 .023 .030 .009 .027 .005 -.007 -.005 |
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C1 .0 -.025 .5 .06 |
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C2 .167 .488 .502 .07 |
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OH1 .454 .811 .073 .023 |
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O2 .2832 .641 .074 .013 |
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OH3 .7890 .811 .072 .016 |
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OH4 .3813 .304 -.078 .015 |
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O5 .390 .050 .239 .031 |
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O6 .552 .075 .237 .031 |
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O7 .621 .979 .080 .025 |
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O8 .461 .306 .231 .025 |
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O9 .4560 .137 .078 .025 |
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O10 .4494 .469 .078 .022 |
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OH11 .6212 .642 .072 .021 |
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O12 .296 .971 .081 .043 |
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O13 .323 .794 .232 .033 |
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O14 .6542 .642 .393 .023 |
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O15 .714 .092 .230 .024 |
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O16 .240 .023 .257 .026 |
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O17 .372 .528 .230 .032 |
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O18 .532 .542 .254 .023 |
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O19 .645 .852 .257 .034 |
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Wat20 .5 .140 .5 .021 |
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OC1 .5 .625 .5 .027 |
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OC4 .604 .898 .500 .045 |
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OC3 .335 .103 .505 .052 |
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OC2 .069 -.090 .502 .044 |
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OC5 .243 .398 .496 .061 |
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View JMOL 3-D Structure (permalink) |
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