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Violarite |
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Vaughan D J, Craig J R |
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American Mineralogist 70 (1985) 1036-1043 |
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The crystal chemistry of iron-nickel thiospinels |
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Note: structure from ICSD |
|
_database_code_amcsd 0001000 |
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9.465 9.465 9.465 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z |
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Fe .125 .125 .125 |
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Ni .5 .5 .5 |
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S .259 .259 .259 |
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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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Titanomaghemite |
| |
Collyer S, Grimes N W, Vaughan D J, Longworth G |
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American Mineralogist 73 (1988) 153-160 |
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Studies of the crystal structure and crystal chemistry of titanomaghemite |
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_database_code_amcsd 0001136 |
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8.341 8.341 8.341 90 90 90 P4_332 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .125 .36623 -.11623 .70 .00335 .00200 .00200 -.00028 -.00028 -.00077 |
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Ti1 .125 .36623 -.11623 .24 .00335 .00200 .00200 -.00028 -.00028 -.00077 |
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Fe2 -.00444 -.00444 -.00444 .96 .00183 .00183 .00183 -.00003 -.00003 -.00003 |
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Fe3 .625 .625 .625 .34 .00381 .00381 .00381 .00008 .00008 .00008 |
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Ti3 .625 .625 .625 .12 .00381 .00381 .00381 .00008 .00008 .00008 |
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O1 .3862 .3862 .3862 .00203 .00203 .00203 .00036 .00036 .00036 |
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O2 .1179 .1304 .3837 .00225 .00535 .00230 -.00040 .00024 .00076 |
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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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Mackinawite |
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Lennie A R, Redfern S A T, Schofield P F, Vaughan D J |
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Mineralogical Magazine 59 (1995) 677-683 |
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Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal |
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FeS |
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Locality: synthetic |
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_database_code_amcsd 0014518 |
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3.6735 3.6735 5.0328 90 90 90 P4/nmm |
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atom x y z Biso |
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Fe 0 0 0 .41 |
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S 0 .5 .2602 .20 |
|
|
| 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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