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Titanite |
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Arlt T, Armbruster T, Ulmer P, Peters T |
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American Mineralogist 83 (1998) 657-660 |
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MnSi2O5 with the titanite structure: A new high-pressure phase in |
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the MnO-SiO2 binary |
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_database_code_amcsd 0002012 |
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6.332 8.161 6.583 90 114.459 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 .32050 .25 .0111 .0058 .0107 0 .0040 0 |
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Si(M) 0 0 0 .0062 .0054 .0058 .0003 .0028 -.0001 |
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Si(T) 0 .3234 .75 .0058 .0049 .0058 0 .0024 0 |
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O1 0 .0649 .25 .007 .007 .004 0 .001 0 |
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O2 -.1979 .5518 .0913 .0074 .0095 .0103 -.0013 .0035 -.0031 |
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O3 .0919 .2076 .6018 .010 .0053 .009 -.0010 .0057 -.0009 |
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Kanoite |
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Arlt T, Angel R J, Miletich R, Armbruster T, Peters T |
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American Mineralogist 83 (1998) 1176-1181 |
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High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes: |
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Influence of cation size and electronic structure |
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Sample at P = 0.0 GPa |
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_database_code_amcsd 0002049 |
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9.7196 8.9172 5.2465 90 108.74 90 P2_1/c |
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atom x y z occ Biso |
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Mg1 .25065 .6537 .2279 .900 .58 |
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Mn1 .25065 .6537 .2279 .100 .58 |
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Mn2 .25487 .02031 .2269 .744 .82 |
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Mg2 .25487 .02031 .2269 .256 .82 |
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SiA .04220 .34061 .2806 .63 |
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SiB .54959 .83774 .2358 .64 |
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O1A .8671 .3378 .1725 .77 |
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O1B .3741 .8382 .1312 .82 |
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O2A .1188 .5006 .3237 .91 |
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O2B .6281 .9881 .3715 .96 |
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O3A .1042 .2677 .5875 .89 |
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O3B .6047 .7066 .4751 .88 |
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Kanoite |
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Arlt T, Angel R J, Miletich R, Armbruster T, Peters T |
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American Mineralogist 83 (1998) 1176-1181 |
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High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes: |
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Influence of cation size and electronic structure |
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Sample at P = 5.2 GPa |
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_database_code_amcsd 0002050 |
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9.4199 8.7830 5.0201 90 103.050 90 C2/c |
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atom x y z occ Biso |
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Mg1 0 .9064 .25 .836 1.09 |
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Mn1 0 .9064 .25 .164 1.09 |
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Mn2 0 .2812 .25 .264 .85 |
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Mg2 0 .2812 .25 .736 .85 |
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Si .2945 .0910 .2187 .87 |
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O1 .1225 .0881 .1409 1.01 |
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O2 .3758 .2427 .3615 .97 |
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O3 .3488 .0514 .9339 1.15 |
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-16 |
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_database_code_amcsd 0006568 |
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8.5439 8.5439 8.5439 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z Biso |
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Ti .125 .125 .125 .94 |
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Fe .5 .5 .5 1.02 |
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O .2602 .2602 .2602 1.37 |
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-17 |
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_database_code_amcsd 0006569 |
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8.5570 8.5570 8.5570 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .73 |
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Fe .5 .5 .5 .902 .69 |
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Mn .5 .5 .5 .098 .69 |
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O .2602 .2602 .2602 1.32 |
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-07 |
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_database_code_amcsd 0006570 |
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8.5688 8.5688 8.5688 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .79 |
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Fe .5 .5 .5 .802 .83 |
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Mn .5 .5 .5 .198 .83 |
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O .2603 .2603 .2603 1.43 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-06 |
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_database_code_amcsd 0006571 |
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8.5837 8.5837 8.5837 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .65 |
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Fe .5 .5 .5 .712 .63 |
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Mn .5 .5 .5 .288 .63 |
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O .2601 .2601 .2601 1.28 |
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-18 |
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_database_code_amcsd 0006572 |
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8.6004 8.6004 8.6004 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .69 |
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Fe .5 .5 .5 .609 .73 |
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Mn .5 .5 .5 .391 .73 |
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O .2614 .2614 .2614 1.31 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-08 |
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_database_code_amcsd 0006573 |
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8.6112 8.6112 8.6112 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .75 |
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Fe .5 .5 .5 .504 .78 |
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Mn .5 .5 .5 .496 .78 |
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O .2606 .2606 .2606 1.63 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-12 |
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_database_code_amcsd 0006574 |
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8.6315 8.6315 8.6315 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .73 |
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Fe .5 .5 .5 .402 .82 |
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Mn .5 .5 .5 .598 .82 |
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O .2615 .2615 .2615 1.42 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-10 |
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_database_code_amcsd 0006575 |
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8.6429 8.6429 8.6429 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .43 |
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Fe .5 .5 .5 .3 .45 |
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Mn .5 .5 .5 .7 .45 |
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O .2603 .2603 .2603 1.33 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-11 |
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_database_code_amcsd 0006576 |
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8.6556 8.6556 8.6556 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .60 |
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Fe .5 .5 .5 .189 .66 |
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Mn .5 .5 .5 .811 .66 |
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O .2610 .2610 .2610 1.58 |
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| Download AMC data (View Text File)
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Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-15 |
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_database_code_amcsd 0006577 |
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8.6651 8.6651 8.6651 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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Ti .125 .125 .125 .63 |
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Fe .5 .5 .5 .087 .71 |
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Mn .5 .5 .5 .913 .71 |
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O .2608 .2608 .2608 1.58 |
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| Download AMC data (View Text File)
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|
Ulvospinel |
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Sedler I K, Feenstra A, Peters T |
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European Journal of Mineralogy 6 (1994) 873-885 |
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An X-ray powder diffraction study of synthetic (Fe,Mn)2TiO4 spinel |
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Sample: D-09 |
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_database_code_amcsd 0006578 |
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8.6789 8.6789 8.6789 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z Biso |
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Ti .125 .125 .125 .63 |
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Mn .5 .5 .5 .74 |
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O .2611 .2611 .2611 1.45 |
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| Download AMC data (View Text File)
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Blythite |
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Arlt T, Armbruster T, Miletich R, Ulmer P, Peters T |
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Physics and Chemistry of Minerals 26 (1998) 100-106 |
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High pressure single-crystal synthesis, structure and compressibility |
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of the garnet Mn2+3Mn3+2[SiO4]3 |
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Sample: T = 100 K |
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_database_code_amcsd 0008166 |
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11.788 11.788 11.788 90 90 90 Ia-3d |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 1/4 1/8 .52 .0072 .0072 .0053 .0015 0 0 |
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Mn 0 0 0 .39 .0049 .0049 .0049 -.0003 -.0003 -.0003 |
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Si 3/8 0 1/4 .64 .003 .0105 .0105 0 0 0 |
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O .0363 .0526 .6570 .91 .006 .010 .019 -.001 -.003 .002 |
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| Download AMC data (View Text File)
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Blythite |
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Arlt T, Armbruster T, Miletich R, Ulmer P, Peters T |
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Physics and Chemistry of Minerals 26 (1998) 100-106 |
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High pressure single-crystal synthesis, structure and compressibility |
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of the garnet Mn2+3Mn3+2[SiO4]3 |
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Sample: T = 298 K |
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_database_code_amcsd 0008167 |
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11.801 11.801 11.801 90 90 90 Ia-3d |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 1/4 1/8 .89 .0133 .0133 .007 .003 0 0 |
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Mn 0 0 0 .58 .0074 .0074 .0074 -.0003 -.0003 -.0003 |
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Si 3/8 0 1/4 .79 .008 .011 .011 0 0 0 |
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O .0362 .0516 .6569 1.13 .010 .013 .020 .000 -.007 .002 |
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| Download AMC data (View Text File)
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