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Manganaxinite |
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Andreozzi G B, Lucchesi S, Graziani G, Russo U |
 |
American Mineralogist 89 (2004) 1763-1771 |
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Site distribution of Fe2+ and Fe3+ in axinite mineral group: |
|
New crystal-chemical formula |
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Sample 47 |
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_database_code_amcsd 0003658 |
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7.1849 9.2152 8.9765 91.761 98.153 77.150 P-1 |
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atom x y z occ Uiso |
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SiT1 .21431 .45019 .23727 .00472 |
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SiT2 .21933 .27500 .52453 .00401 |
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SiT3 .70072 .25369 .01152 .00478 |
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SiT4 .64055 .01901 .23013 .00447 |
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BT5 .46165 .63523 .28647 .00132 |
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CaX1 .74611 .34774 .39587 .00775 |
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CaX2 .18328 .10062 .08379 .95 .00857 |
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MnX2 .18328 .10062 .08379 .05 .00857 |
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MnY .76934 .58917 .11157 .945 .00797 |
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Fe2+Y .76934 .58917 .11157 .035 .00797 |
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MgY .76934 .58917 .11157 .005 .00797 |
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AlY .76934 .58917 .11157 .015 .00797 |
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AlZ1 .05275 .80181 .25422 .87 .00412 |
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Fe3+Z1 .05275 .80181 .25422 .13 .00412 |
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AlZ2 .35213 .93654 .42153 .975 .00422 |
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Fe3+Z2 .35213 .93654 .42153 .015 .00422 |
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MgZ2 .35213 .93654 .42153 .010 .00422 |
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O1 .05970 .60338 .18974 .00692 |
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O2 .23487 .33740 .10084 .00916 |
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O3 .42142 .48736 .31412 .00673 |
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O4 .13711 .37590 .37345 .00980 |
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O5 .02186 .24271 .56344 .00655 |
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O6 .32635 .37826 .64732 .00614 |
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O7 .38006 .12749 .49598 .00509 |
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O8 .54054 .34368 .87721 .00664 |
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O9 .87760 .15216 .93434 .00660 |
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O10 .77047 .36264 .13966 .00890 |
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O11 .60365 .13357 .08602 .00924 |
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O12 .43632 .98193 .24413 .00651 |
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O13 .71944 .09975 .38340 .00596 |
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O14 .79302 .87344 .17787 .00753 |
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O15 .32625 .74656 .35564 .00531 |
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O16 .09696 .99702 .32332 .00668 |
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H .001 .951 .627 .9 |
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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
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Axinite-(Mn) |
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Andreozzi G B, Lucchesi S, Graziani G, Russo U |
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American Mineralogist 89 (2004) 1763-1771 |
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Site distribution of Fe2+ and Fe3+ in axinite mineral group: |
|
New crystal-chemical formula |
|
Sample 47 |
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_database_code_amcsd 0003659 |
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7.1849 9.2152 8.9765 91.761 98.153 77.150 P-1 |
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atom x y z occ Uiso |
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SiT1 .21431 .45019 .23727 .00472 |
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SiT2 .21933 .27500 .52453 .00401 |
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SiT3 .70072 .25369 .01152 .00478 |
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SiT4 .64055 .01901 .23013 .00447 |
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BT5 .46165 .63523 .28647 .00132 |
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CaX1 .74611 .34774 .39587 .00775 |
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CaX2 .18328 .10062 .08379 .95 .00857 |
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MnX2 .18328 .10062 .08379 .05 .00857 |
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MnY .76934 .58917 .11157 .945 .00797 |
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Fe2+Y .76934 .58917 .11157 .035 .00797 |
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MgY .76934 .58917 .11157 .005 .00797 |
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AlY .76934 .58917 .11157 .015 .00797 |
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AlZ1 .05275 .80181 .25422 .87 .00412 |
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Fe3+Z1 .05275 .80181 .25422 .13 .00412 |
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AlZ2 .35213 .93654 .42153 .975 .00422 |
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Fe3+Z2 .35213 .93654 .42153 .015 .00422 |
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MgZ2 .35213 .93654 .42153 .010 .00422 |
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O1 .05970 .60338 .18974 .00692 |
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O2 .23487 .33740 .10084 .00916 |
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O3 .42142 .48736 .31412 .00673 |
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O4 .13711 .37590 .37345 .00980 |
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O5 .02186 .24271 .56344 .00655 |
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O6 .32635 .37826 .64732 .00614 |
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O7 .38006 .12749 .49598 .00509 |
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O8 .54054 .34368 .87721 .00664 |
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O9 .87760 .15216 .93434 .00660 |
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O10 .77047 .36264 .13966 .00890 |
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O11 .60365 .13357 .08602 .00924 |
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O12 .43632 .98193 .24413 .00651 |
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O13 .71944 .09975 .38340 .00596 |
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O14 .79302 .87344 .17787 .00753 |
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O15 .32625 .74656 .35564 .00531 |
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O16 .09696 .99702 .32332 .00668 |
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H .001 .951 .627 .9 |
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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
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Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
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American Mineralogist 91 (2006) 104-110 |
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The crystal structure of dissakisite-(La) and structural variations |
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after annealing of radiation damage |
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Sample: untreated DISS3 |
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_database_code_amcsd 0003995 |
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8.959 5.7226 10.232 90 115.19 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaA1 .75710 .75 .15068 .792 .0205 .0302 .01717 .02021 0 .01661 0 |
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ThA1 .75710 .75 .15068 .090 .0205 .0302 .01717 .02021 0 .01661 0 |
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FeA1 .75710 .75 .15068 .053 .0205 .0302 .01717 .02021 0 .01661 0 |
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LaA1 .75710 .75 .15068 .050 .0205 .0302 .01717 .02021 0 .01661 0 |
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MnA1 .75710 .75 .15068 .009 .0205 .0302 .01717 .02021 0 .01661 0 |
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UA1 .75710 .75 .15068 .003 .0205 .0302 .01717 .02021 0 .01661 0 |
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NaA1 .75710 .75 .15068 .002 .0205 .0302 .01717 .02021 0 .01661 0 |
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ErA1 .75710 .75 .15068 .001 .0205 .0302 .01717 .02021 0 .01661 0 |
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CaA2 .59801 .75 .42706 .403 .0213 .01874 .02646 .01607 0 .00485 0 |
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LaA2 .59801 .75 .42706 .265 .0213 .01874 .02646 .01607 0 .00485 0 |
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CeA2 .59801 .75 .42706 .262 .0213 .01874 .02646 .01607 0 .00485 0 |
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NdA2 .59801 .75 .42706 .038 .0213 .01874 .02646 .01607 0 .00485 0 |
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PrA2 .59801 .75 .42706 .019 .0213 .01874 .02646 .01607 0 .00485 0 |
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SrA2 .59801 .75 .42706 .010 .0213 .01874 .02646 .01607 0 .00485 0 |
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SmA2 .59801 .75 .42706 .002 .0213 .01874 .02646 .01607 0 .00485 0 |
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GdA2 .59801 .75 .42706 .001 .0213 .01874 .02646 .01607 0 .00485 0 |
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AlM1 0 0 0 .813 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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CrM1 0 0 0 .148 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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TiM1 0 0 0 .030 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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VM1 0 0 0 .008 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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ScM1 0 0 0 .002 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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GaM1 0 0 0 .001 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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AlM2 0 0 .5 .948 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
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FeM2 0 0 .5 .052 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
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MgM3 .2989 .25 .2178 .622 .0177 .01641 .01337 .01556 0 -.00068 0 |
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FeM3 .2989 .25 .2178 .299 .0177 .01641 .01337 .01556 0 -.00068 0 |
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AlM3 .2989 .25 .2178 .054 .0177 .01641 .01337 .01556 0 -.00068 0 |
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ZnM3 .2989 .25 .2178 .015 .0177 .01641 .01337 .01556 0 -.00068 0 |
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NiM3 .2989 .25 .2178 .010 .0177 .01641 .01337 .01556 0 -.00068 0 |
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Si1 .3376 .75 .0403 .990 .0113 .01169 .0102 .01094 0 .00378 0 |
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Al1 .3376 .75 .0403 .007 .0113 .01169 .0102 .01094 0 .00378 0 |
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P1 .3376 .75 .0403 .003 .0113 .01169 .0102 .01094 0 .00378 0 |
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Si2 .6843 .25 .2764 .990 .0131 .01419 .01087 .01413 0 .00603 0 |
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Al2 .6843 .25 .2764 .007 .0131 .01419 .01087 .01413 0 .00603 0 |
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P2 .6843 .25 .2764 .003 .0131 .01419 .01087 .01413 0 .00603 0 |
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Si3 .1859 .75 .3203 .990 .0105 .00982 .01227 .01024 0 .00518 0 |
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Al3 .1859 .75 .3203 .007 .0105 .00982 .01227 .01024 0 .00518 0 |
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P3 .1859 .75 .3203 .003 .0105 .00982 .01227 .01024 0 .00518 0 |
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O1 .2334 .9910 .0322 .0201 .01485 .01519 .03112 .00298 .01072 .00404 |
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O2 .3084 .9771 .3596 .0193 .0207 .02209 .01697 -.00789 .00972 -.0041 |
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O3 .7935 .0144 .3373 .0229 .02259 .01304 .02262 .00164 -.00036 -.00212 |
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O4 .0560 .25 .1292 .0159 .01544 .01516 .01551 0 .00497 0 |
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O5 .0456 .75 .1475 .0140 .01496 .01661 .00959 0 .00433 0 |
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O6 .0684 .75 .4084 .0166 .0215 .01537 .01895 0 .01438 0 |
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O7 .5110 .75 .1780 .0222 .01817 .02273 .0165 0 -.00136 0 |
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O8 .5331 .25 .3189 .0364 .03153 .04471 .04224 0 .02456 0 |
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O9 .6188 .25 .1006 .0314 .03736 .04419 .01715 0 .01596 0 |
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O10 .0843 .25 .4306 .0178 .01781 .01461 .02443 0 .01245 0 |
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H .159 .25 .305 .05 |
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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
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| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
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Sample: DISS3 annealed 700 C for 3 hours |
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_database_code_amcsd 0003996 |
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8.931 5.699 10.182 90 115.16 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaA1 .75676 .75 .15098 .792 .01441 .0219 .01197 .01385 0 .01192 0 |
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ThA1 .75676 .75 .15098 .090 .01441 .0219 .01197 .01385 0 .01192 0 |
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FeA1 .75676 .75 .15098 .053 .01441 .0219 .01197 .01385 0 .01192 0 |
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LaA1 .75676 .75 .15098 .050 .01441 .0219 .01197 .01385 0 .01192 0 |
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MnA1 .75676 .75 .15098 .009 .01441 .0219 .01197 .01385 0 .01192 0 |
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UA1 .75676 .75 .15098 .003 .01441 .0219 .01197 .01385 0 .01192 0 |
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NaA1 .75676 .75 .15098 .002 .01441 .0219 .01197 .01385 0 .01192 0 |
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ErA1 .75676 .75 .15098 .001 .01441 .0219 .01197 .01385 0 .01192 0 |
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CaA2 .59815 .75 .42772 .403 .01512 .01314 .01802 .01193 0 .00314 0 |
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LaA2 .59815 .75 .42772 .265 .01512 .01314 .01802 .01193 0 .00314 0 |
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CeA2 .59815 .75 .42772 .262 .01512 .01314 .01802 .01193 0 .00314 0 |
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NdA2 .59815 .75 .42772 .038 .01512 .01314 .01802 .01193 0 .00314 0 |
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PrA2 .59815 .75 .42772 .019 .01512 .01314 .01802 .01193 0 .00314 0 |
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SrA2 .59815 .75 .42772 .010 .01512 .01314 .01802 .01193 0 .00314 0 |
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SmA2 .59815 .75 .42772 .002 .01512 .01314 .01802 .01193 0 .00314 0 |
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GdA2 .59815 .75 .42772 .001 .01512 .01314 .01802 .01193 0 .00314 0 |
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AlM1 0 0 0 .813 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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CrM1 0 0 0 .148 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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TiM1 0 0 0 .030 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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VM1 0 0 0 .008 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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ScM1 0 0 0 .002 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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GaM1 0 0 0 .001 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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AlM2 0 0 .5 .948 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
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FeM2 0 0 .5 .052 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
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MgM3 .29705 .25 .21835 .622 .01147 .00976 .00772 .01071 0 -.00164 0 |
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FeM3 .29705 .25 .21835 .299 .01147 .00976 .00772 .01071 0 -.00164 0 |
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AlM3 .29705 .25 .21835 .054 .01147 .00976 .00772 .01071 0 -.00164 0 |
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ZnM3 .29705 .25 .21835 .015 .01147 .00976 .00772 .01071 0 -.00164 0 |
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NiM3 .29705 .25 .21835 .010 .01147 .00976 .00772 .01071 0 -.00164 0 |
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Si1 .33785 .75 .04123 .990 .00789 .00779 .00657 .00817 0 .00227 0 |
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Al1 .33785 .75 .04123 .007 .00789 .00779 .00657 .00817 0 .00227 0 |
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P1 .33785 .75 .04123 .003 .00789 .00779 .00657 .00817 0 .00227 0 |
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Si2 .68312 .25 .27672 .990 .00891 .01004 .0074 .00968 0 .00459 0 |
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Al2 .68312 .25 .27672 .007 .00891 .01004 .0074 .00968 0 .00459 0 |
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P2 .68312 .25 .27672 .003 .00891 .01004 .0074 .00968 0 .00459 0 |
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Si3 .1859 .75 .32015 .990 .00693 .0067 .00799 .00644 0 .00312 0 |
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Al3 .1859 .75 .32015 .007 .00693 .0067 .00799 .00644 0 .00312 0 |
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P3 .1859 .75 .32015 .003 .00693 .0067 .00799 .00644 0 .00312 0 |
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O1 .23395 .99227 .03345 .01446 .01058 .00993 .02286 .00204 .0071 .00269 |
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O2 .30815 .9775 .35892 .01408 .01486 .01609 .01226 -.00611 .00671 -.00397 |
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O3 .7928 .01355 .33786 .01681 .01576 .00879 .01748 .00062 -.00103 -.00169 |
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O4 .05441 .25 .12967 .01137 .01087 .01073 .01136 0 .00362 0 |
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O5 .04534 .75 .14737 .0097 .00826 .0112 .00781 0 .00165 0 |
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O6 .06627 .75 .40663 .01269 .01582 .01211 .0152 0 .01147 0 |
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O7 .51268 .75 .17843 .01612 .01234 .01625 .01292 0 -.00124 0 |
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O8 .5318 .25 .3199 .02888 .02711 .03586 .03543 0 .02461 0 |
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O9 .61971 .25 .10057 .0265 .03222 .03909 .01193 0 .01299 0 |
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O10 .08335 .25 .42807 .01243 .01196 .01146 .01549 0 .00741 0 |
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H .154 .25 .305 .05 |
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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
|
| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: DISS3 annealed 700 C for 18 (3+15) hours |
|
_database_code_amcsd 0003997 |
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8.934 5.6939 10.180 90 115.153 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaA1 .75687 .75 .15098 .792 .01401 .02087 .01221 .01304 0 .01115 0 |
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ThA1 .75687 .75 .15098 .090 .01401 .02087 .01221 .01304 0 .01115 0 |
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FeA1 .75687 .75 .15098 .053 .01401 .02087 .01221 .01304 0 .01115 0 |
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LaA1 .75687 .75 .15098 .050 .01401 .02087 .01221 .01304 0 .01115 0 |
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MnA1 .75687 .75 .15098 .009 .01401 .02087 .01221 .01304 0 .01115 0 |
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UA1 .75687 .75 .15098 .003 .01401 .02087 .01221 .01304 0 .01115 0 |
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NaA1 .75687 .75 .15098 .002 .01401 .02087 .01221 .01304 0 .01115 0 |
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ErA1 .75687 .75 .15098 .001 .01401 .02087 .01221 .01304 0 .01115 0 |
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CaA2 .59811 .75 .42772 .403 .01472 .01262 .01781 .01125 0 .0027 0 |
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LaA2 .59811 .75 .42772 .265 .01472 .01262 .01781 .01125 0 .0027 0 |
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CeA2 .59811 .75 .42772 .262 .01472 .01262 .01781 .01125 0 .0027 0 |
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NdA2 .59811 .75 .42772 .038 .01472 .01262 .01781 .01125 0 .0027 0 |
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PrA2 .59811 .75 .42772 .019 .01472 .01262 .01781 .01125 0 .0027 0 |
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SrA2 .59811 .75 .42772 .010 .01472 .01262 .01781 .01125 0 .0027 0 |
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SmA2 .59811 .75 .42772 .002 .01472 .01262 .01781 .01125 0 .0027 0 |
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GdA2 .59811 .75 .42772 .001 .01472 .01262 .01781 .01125 0 .0027 0 |
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AlM1 0 0 0 .813 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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CrM1 0 0 0 .148 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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TiM1 0 0 0 .030 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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VM1 0 0 0 .008 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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ScM1 0 0 0 .002 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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GaM1 0 0 0 .001 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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AlM2 0 0 .5 .948 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
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FeM2 0 0 .5 .052 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
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MgM3 .29668 .25 .21849 .622 .01028 .0085 .0077 .00913 0 -.00156 0 |
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FeM3 .29668 .25 .21849 .299 .01028 .0085 .0077 .00913 0 -.00156 0 |
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AlM3 .29668 .25 .21849 .054 .01028 .0085 .0077 .00913 0 -.00156 0 |
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ZnM3 .29668 .25 .21849 .015 .01028 .0085 .0077 .00913 0 -.00156 0 |
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NiM3 .29668 .25 .21849 .010 .01028 .0085 .0077 .00913 0 -.00156 0 |
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Si1 .33797 .75 .04138 .990 .00747 .00703 .00667 .00735 0 .00174 0 |
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Al1 .33797 .75 .04138 .007 .00747 .00703 .00667 .00735 0 .00174 0 |
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P1 .33797 .75 .04138 .003 .00747 .00703 .00667 .00735 0 .00174 0 |
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Si2 .68326 .25 .27692 .990 .00848 .00924 .00753 .00885 0 .00402 0 |
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Al2 .68326 .25 .27692 .007 .00848 .00924 .00753 .00885 0 .00402 0 |
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P2 .68326 .25 .27692 .003 .00848 .00924 .00753 .00885 0 .00402 0 |
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Si3 .18599 .75 .32023 .990 .00679 .00619 .00818 .00624 0 .00288 0 |
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Al3 .18599 .75 .32023 .007 .00679 .00619 .00818 .00624 0 .00288 0 |
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P3 .18599 .75 .32023 .003 .00679 .00619 .00818 .00624 0 .00288 0 |
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O1 .23425 .99205 .03383 .01396 .01053 .01019 .02062 .00192 .0061 .00234 |
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O2 .30827 .97703 .35893 .01365 .014 .01617 .01158 -.00561 .00622 -.00331 |
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O3 .79292 .01358 .3381 .01601 .01398 .00825 .01704 .00079 -.00185 -.00114 |
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O4 .05402 .25 .12943 .011 .00917 .01116 .01107 0 .00275 0 |
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O5 .04522 .75 .14761 .00944 .00819 .01072 .00718 0 .00111 0 |
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O6 .06646 .75 .4068 .01226 .01447 .01176 .01507 0 .01064 0 |
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O7 .51249 .75 .1782 .0159 .01158 .01717 .01226 0 -.00139 0 |
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O8 .53169 .25 .3199 .02821 .02525 .03662 .0332 0 .02247 0 |
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O9 .62027 .25 .10062 .02606 .03107 .03781 .01264 0 .01249 0 |
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O10 .08357 .25 .42827 .01198 .01074 .01186 .014 0 .0059 0 |
|
H .156 .25 .303 .05 |
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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
|
| |
|
Spinel |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: SPN255 |
|
_database_code_amcsd 0006637 |
|
8.4466 8.4466 8.4466 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ Uiso |
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MnT .125 .125 .125 .0083 |
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MnM .5 .5 .5 .0965 .0068 |
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CrM .5 .5 .5 .9035 .0068 |
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O .26414 .26414 .26414 .0085 |
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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
|
| |
|
Jacobsite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: JBS1 |
|
_database_code_amcsd 0006638 |
|
8.4075 8.4075 8.4075 90 90 90 *Fd3m |
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.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .0550 .0057 |
|
MnT .125 .125 .125 .2386 .0057 |
|
FeT .125 .125 .125 .6890 .0057 |
|
ZnT .125 .125 .125 .0173 .0057 |
|
MgM .5 .5 .5 .3407 .0058 |
|
AlM .5 .5 .5 .0244 .0058 |
|
FeM .5 .5 .5 .6112 .0058 |
|
MnM .5 .5 .5 .0228 .0058 |
|
O .25764 .25764 .25764 .0089 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jacobsite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: JBS3 |
|
_database_code_amcsd 0006639 |
|
8.4454 8.4454 8.4454 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .0256 .0089 |
|
MnT .125 .125 .125 .3968 .0089 |
|
FeT .125 .125 .125 .5706 .0089 |
|
ZnT .125 .125 .125 .0059 .0089 |
|
MgM .5 .5 .5 .2247 .0094 |
|
FeM .5 .5 .5 .7486 .0094 |
|
MnM .5 .5 .5 .0247 .0094 |
|
TiM .5 .5 .5 .001 .0094 |
|
O .25864 .25864 .25864 .0114 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jacobsite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: JBS4 |
|
_database_code_amcsd 0006640 |
|
8.4956 8.4956 8.4956 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .0518 .0109 |
|
MnT .125 .125 .125 .7030 .0109 |
|
FeT .125 .125 .125 .2392 .0109 |
|
ZnT .125 .125 .125 .0068 .0109 |
|
MgM .5 .5 .5 .0385 .0105 |
|
AlM .5 .5 .5 .0148 .0105 |
|
FeM .5 .5 .5 .8823 .0105 |
|
MnM .5 .5 .5 .0646 .0105 |
|
O .26100 .26100 .26100 .0121 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: FRK1b |
|
_database_code_amcsd 0006641 |
|
8.4576 8.4576 8.4576 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MnT .125 .125 .125 .2988 .0092 |
|
FeT .125 .125 .125 .4049 .0092 |
|
ZnT .125 .125 .125 .2977 .0092 |
|
MgM .5 .5 .5 .0095 .0093 |
|
AlM .5 .5 .5 .0283 .0093 |
|
FeM .5 .5 .5 .9304 .0093 |
|
MnM .5 .5 .5 .0199 .0093 |
|
TiM .5 .5 .5 .0125 .0093 |
|
O .26139 .26139 .26139 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Galaxite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 9 (1997) 31-42 |
|
Crystal chemistry and cation distribution in some |
|
Mn-rich natural and synthetic spinels |
|
Sample: SPN258 |
|
_database_code_amcsd 0006642 |
|
8.2226 8.2226 8.2226 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .1173 .0066 |
|
AlT .125 .125 .125 .0161 .0066 |
|
MnT .125 .125 .125 .6633 .0066 |
|
FeT .125 .125 .125 .2033 .0066 |
|
MgM .5 .5 .5 .0123 .0057 |
|
AlM .5 .5 .5 .8783 .0057 |
|
FeM .5 .5 .5 .0335 .0057 |
|
MnM .5 .5 .5 .0759 .0057 |
|
O .26521 .26521 .26521 .0088 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK2 |
|
_database_code_amcsd 0006780 |
|
8.4654 8.4654 8.4654 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .581 .0101 |
|
MnT .125 .125 .125 .307 .0101 |
|
MgT .125 .125 .125 .034 .0101 |
|
AlT .125 .125 .125 .018 .0101 |
|
FeT .125 .125 .125 .060 .0101 |
|
ZnM .5 .5 .5 .0175 .0102 |
|
MnM .5 .5 .5 .0335 .0102 |
|
MgM .5 .5 .5 .0005 .0102 |
|
AlM .5 .5 .5 .008 .0102 |
|
FeM .5 .5 .5 .94 .0102 |
|
O .2613 .2613 .2613 .0103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK3 |
|
_database_code_amcsd 0006781 |
|
8.4641 8.4641 8.4641 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .609 .0091 |
|
MnT .125 .125 .125 .315 .0091 |
|
MgT .125 .125 .125 .017 .0091 |
|
AlT .125 .125 .125 .033 .0091 |
|
FeT .125 .125 .125 .027 .0091 |
|
ZnM .5 .5 .5 .0035 .0091 |
|
MnM .5 .5 .5 .0275 .0091 |
|
MgM .5 .5 .5 .013 .0091 |
|
AlM .5 .5 .5 .0005 .0091 |
|
FeM .5 .5 .5 .955 .0091 |
|
O .2614 .2614 .2614 .0097 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK5 |
|
_database_code_amcsd 0006782 |
|
8.4434 8.4434 8.4434 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .613 .0090 |
|
MnT .125 .125 .125 .285 .0090 |
|
MgT .125 .125 .125 .023 .0090 |
|
AlT .125 .125 .125 .029 .0090 |
|
FeT .125 .125 .125 .032 .0090 |
|
ZnM .5 .5 .5 .0125 .0093 |
|
MnM .5 .5 .5 .033 .0093 |
|
MgM .5 .5 .5 .0105 .0093 |
|
AlM .5 .5 .5 .056 .0093 |
|
FeM .5 .5 .5 .8765 .0093 |
|
TiM .5 .5 .5 .012 .0093 |
|
O .2615 .2615 .2615 .0097 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK6 |
|
_database_code_amcsd 0006783 |
|
8.4431 8.4431 8.4431 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .669 .0091 |
|
MnT .125 .125 .125 .260 .0091 |
|
AlT .125 .125 .125 .023 .0091 |
|
FeT .125 .125 .125 .048 .0091 |
|
ZnM .5 .5 .5 .014 .0088 |
|
MnM .5 .5 .5 .0365 .0088 |
|
MgM .5 .5 .5 .021 .0088 |
|
AlM .5 .5 .5 .06 .0088 |
|
FeM .5 .5 .5 .8565 .0088 |
|
TiM .5 .5 .5 .013 .0088 |
|
O .2616 .2616 .2616 .0098 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK7 |
|
_database_code_amcsd 0006784 |
|
8.4428 8.4428 8.4428 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .659 .0071 |
|
MnT .125 .125 .125 .265 .0071 |
|
MgT .125 .125 .125 .006 .0071 |
|
AlT .125 .125 .125 .019 .0071 |
|
FeT .125 .125 .125 .051 .0071 |
|
ZnM .5 .5 .5 .0195 .0069 |
|
MnM .5 .5 .5 .0305 .0069 |
|
MgM .5 .5 .5 .0155 .0069 |
|
AlM .5 .5 .5 .061 .0069 |
|
FeM .5 .5 .5 .8605 .0069 |
|
TiM .5 .5 .5 .013 .0069 |
|
O .2616 .2616 .2616 .0080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK8 |
|
_database_code_amcsd 0006785 |
|
8.4688 8.4688 8.4688 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .591 .0098 |
|
MnT .125 .125 .125 .300 .0098 |
|
MgT .125 .125 .125 .035 .0098 |
|
AlT .125 .125 .125 .028 .0098 |
|
FeT .125 .125 .125 .047 .0098 |
|
ZnM .5 .5 .5 .0055 .0101 |
|
MnM .5 .5 .5 .063 .0101 |
|
FeM .5 .5 .5 .9315 .0101 |
|
O .2611 .2611 .2611 .0104 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK10 |
|
_database_code_amcsd 0006786 |
|
8.4466 8.4466 8.4466 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .639 .0096 |
|
MnT .125 .125 .125 .287 .0096 |
|
MgT .125 .125 .125 .004 .0096 |
|
AlT .125 .125 .125 .032 .0096 |
|
FeT .125 .125 .125 .038 .0096 |
|
ZnM .5 .5 .5 .0095 .0096 |
|
MnM .5 .5 .5 .0205 .0096 |
|
MgM .5 .5 .5 .017 .0096 |
|
AlM .5 .5 .5 .0485 .0096 |
|
FeM .5 .5 .5 .897 .0096 |
|
TiM .5 .5 .5 .008 .0096 |
|
O .2615 .2615 .2615 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK12 |
|
_database_code_amcsd 0006787 |
|
8.4585 8.4585 8.4585 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .667 .0089 |
|
MnT .125 .125 .125 .235 .0089 |
|
MgT .125 .125 .125 .031 .0089 |
|
AlT .125 .125 .125 .026 .0089 |
|
FeT .125 .125 .125 .040 .0089 |
|
ZnM .5 .5 .5 .0015 .0089 |
|
MnM .5 .5 .5 .041 .0089 |
|
MgM .5 .5 .5 .0125 .0089 |
|
AlM .5 .5 .5 .0025 .0089 |
|
FeM .5 .5 .5 .942 .0089 |
|
O .2612 .2612 .2612 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Lucchesi S, Russo U, Della Giusta A |
| |
European Journal of Mineralogy 11 (1999) 501-511 |
|
Cation distribution in natural Zn-spinels: franklinite |
|
Sample: FRK13 |
|
_database_code_amcsd 0006788 |
|
8.4585 8.4585 8.4585 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
ZnT .125 .125 .125 .647 .0096 |
|
MnT .125 .125 .125 .273 .0096 |
|
MgT .125 .125 .125 .002 .0096 |
|
AlT .125 .125 .125 .043 .0096 |
|
FeT .125 .125 .125 .034 .0096 |
|
ZnM .5 .5 .5 .007 .0095 |
|
MnM .5 .5 .5 .025 .0095 |
|
MgM .5 .5 .5 .013 .0095 |
|
AlM .5 .5 .5 .0085 .0095 |
|
FeM .5 .5 .5 .945 .0095 |
|
TiM .5 .5 .5 .002 .0095 |
|
O .2612 .2612 .2612 .0099 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008209 |
|
8.0670 8.0670 8.0670 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0115 |
|
MgT 1/8 1/8 1/8 .5881 .0115 |
|
AlT 1/8 1/8 1/8 .0819 .0115 |
|
MgM 1/2 1/2 1/2 .0558 .0081 |
|
AlM 1/2 1/2 1/2 .9445 .0081 |
|
O .2598 .2598 .2598 .0130 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 523 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008210 |
|
8.0811 8.0811 8.0811 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0149 |
|
MgT 1/8 1/8 1/8 .5857 .0149 |
|
AlT 1/8 1/8 1/8 .0843 .0149 |
|
MgM 1/2 1/2 1/2 .0570 .0116 |
|
AlM 1/2 1/2 1/2 .9433 .0116 |
|
O .2598 .2598 .2598 .0157 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 773 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008211 |
|
8.0973 8.0973 8.0973 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0185 |
|
MgT 1/8 1/8 1/8 .5845 .0185 |
|
AlT 1/8 1/8 1/8 .0855 .0185 |
|
MgM 1/2 1/2 1/2 .0575 .0147 |
|
AlM 1/2 1/2 1/2 .9427 .0147 |
|
O .2597 .2597 .2597 .0188 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 973 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008212 |
|
8.1115 8.1115 8.1115 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0209 |
|
MgT 1/8 1/8 1/8 .1483 .0209 |
|
AlT 1/8 1/8 1/8 .6217 .0209 |
|
MgM 1/2 1/2 1/2 .2763 .0175 |
|
AlM 1/2 1/2 1/2 .6737 .0175 |
|
O .2595 .2595 .2595 .0213 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1123 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008213 |
|
8.1256 8.1256 8.1256 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0239 |
|
MgT 1/8 1/8 1/8 .1481 .0239 |
|
AlT 1/8 1/8 1/8 .6219 .0239 |
|
MgM 1/2 1/2 1/2 .2764 .0188 |
|
AlM 1/2 1/2 1/2 .6737 .0188 |
|
O .2595 .2595 .2595 .0239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1273 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008214 |
|
8.1437 8.1437 8.1437 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0252 |
|
MgT 1/8 1/8 1/8 .1499 .0252 |
|
AlT 1/8 1/8 1/8 .6201 .0252 |
|
MgM 1/2 1/2 1/2 .2756 .0206 |
|
AlM 1/2 1/2 1/2 .6744 .0206 |
|
O .2597 .2597 .2597 .0262 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1423 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008215 |
|
8.1612 8.1612 8.1612 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0284 |
|
MgT 1/8 1/8 1/8 .1528 .0284 |
|
AlT 1/8 1/8 1/8 .6172 .0284 |
|
MgM 1/2 1/2 1/2 .2742 .0220 |
|
AlM 1/2 1/2 1/2 .6757 .0220 |
|
O .2598 .2598 .2598 .0291 |
|
|
| Download AMC data (View Text File)
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Spinel |
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Pavese A, Artioli G, Russo U, Hoser A |
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Physics and Chemistry of Minerals 26 (1999) 242-250 |
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Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
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synthetic spinel by in situ neutron powder diffraction |
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Sample: T = 1573 K |
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Locality: synthetic |
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_database_code_amcsd 0008216 |
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8.1768 8.1768 8.1768 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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FeT 1/8 1/8 1/8 .23 .0313 |
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MgT 1/8 1/8 1/8 .1524 .0313 |
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AlT 1/8 1/8 1/8 .6176 .0313 |
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MgM 1/2 1/2 1/2 .2745 .0230 |
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AlM 1/2 1/2 1/2 .6755 .0230 |
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O .2599 .2599 .2599 .0326 |
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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
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1723 K |
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Locality: synthetic |
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_database_code_amcsd 0008217 |
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8.1907 8.1907 8.1907 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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FeT 1/8 1/8 1/8 .23 .0341 |
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MgT 1/8 1/8 1/8 .1530 .0341 |
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AlT 1/8 1/8 1/8 .6170 .0341 |
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MgM 1/2 1/2 1/2 .2742 .0240 |
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AlM 1/2 1/2 1/2 .6758 .0240 |
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O .2602 .2602 .2602 .0353 |
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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
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| |
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