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Tomichite |
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Grey I E, Madsen I C, Harris D C |
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American Mineralogist 72 (1987) 201-208 |
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Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and |
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relationship to derbylite and tomichite |
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_database_code_amcsd 0001066 |
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7.105 14.217 5.043 90 104.97 90 A2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 0 0 0 .55 .0086 .0078 .0087 0 .0016 0 |
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V1 0 0 0 .225 .0086 .0078 .0087 0 .0016 0 |
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Fe1 0 0 0 .225 .0086 .0078 .0087 0 .0016 0 |
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Ti2 0 .6172 0 .45 .0079 .0141 .0102 0 .0034 0 |
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V2 0 .6172 0 .275 .0079 .0141 .0102 0 .0034 0 |
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Fe2 0 .6172 0 .275 .0079 .0141 .0102 0 .0034 0 |
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Ti3 .3171 .1916 .1185 .24 .0060 .0074 .0062 -.0018 .0025 -.0007 |
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V3 .3171 .1916 .1185 .38 .0060 .0074 .0062 -.0018 .0025 -.0007 |
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Fe3 .3171 .1916 .1185 .38 .0060 .0074 .0062 -.0018 .0025 -.0007 |
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Ba .5 .5 0 .35 .0102 .0084 .0095 0 -.0028 0 |
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As .5807 0 .2396 .47 .0032 .0047 .0099 0 .0013 0 |
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O1 .1593 .0983 .2329 .008 .008 .009 -.001 .003 .000 |
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O2 .1741 .2985 .2275 .008 .010 .006 .003 .000 .001 |
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O3 .5 .2859 0 .006 .008 .006 0 .002 0 |
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O4 .5 .0947 0 .015 .008 .016 0 .002 0 |
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O5 .1488 0 .7175 .011 .009 .010 0 .004 0 |
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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 (permalink) |
| |
|
Tomichite |
|
Grey I E, Madsen I C, Harris D C |
|
American Mineralogist 72 (1987) 201-208 |
|
Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and |
|
relationship to derbylite and tomichite |
|
_database_code_amcsd 0001067 |
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7.119 14.176 4.992 90 105.1 90 P2_1/m |
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atom x y z occ Biso |
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Ti1 .4965 .25 .7453 .6 .35 |
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V1 .4965 .25 .7453 .3 .35 |
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Fe1 .4965 .25 .7453 .1 .35 |
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Ti2 .5017 .1289 .2484 .62 .23 |
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V2 .5017 .1289 .2484 .285 .23 |
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Fe2 .5017 .1289 .2484 .095 .23 |
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Ti3 .8171 .0606 .8736 .3 .10 |
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V3 .8171 .0606 .8736 .525 .10 |
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Fe3 .8171 .0606 .8736 .175 .10 |
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Ti4 .8195 -.0620 .3755 .27 .15 |
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V4 .8195 -.0620 .3755 .55 .15 |
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Fe4 .8195 -.0620 .3755 .18 .15 |
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As .0789 .25 .0125 .47 |
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O1 .342 .25 .033 .01 |
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O2 .673 -.047 -.023 .50 |
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O3 .654 .152 -.023 .19 |
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O4 .003 .155 .756 .52 |
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O5 .002 .034 .252 .45 |
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O6 .677 .048 .483 .34 |
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O7 .342 .152 .516 .43 |
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O8 .647 .25 .458 .38 |
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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 (permalink) |
| |
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