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CaMg2Al6O12 |
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Miura H, Hamada Y, Suzuki T, Akaogi M, Miyajima N, Fujino K |
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American Mineralogist 85 (2000) 1799-1803 |
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Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form |
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_database_code_amcsd 0002595 |
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8.7616 8.7616 2.7850 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca 0 0 .25 .5 2.9 |
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Mg 2/3 1/3 .25 1.8 |
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Al -.010 .342 .25 1.5 |
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O1 .134 .601 .25 0.0 |
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O2 .306 .197 .25 0.5 |
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Phase-D (Al-rich) |
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Boffa Ballaran T, Frost D J, Miyajima N, Heidelbach F |
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American Mineralogist 95 (2010) 1113-1116 |
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The structure of a super-aluminous version of the dense |
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hydrous-magnesium silicate phase D |
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Locality: synthetic |
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_database_code_amcsd 0005072 |
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4.7621 4.7621 4.2964 90 90 120 P-31m |
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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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MgM1 0 0 0 .06 .0194 .0194 .0160 .0097 0 0 |
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FeM1 0 0 0 .07 .0194 .0194 .0160 .0097 0 0 |
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AlM1 0 0 0 .49 .0194 .0194 .0160 .0097 0 0 |
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SiM1 0 0 0 .33 .0194 .0194 .0160 .0097 0 0 |
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MgM2 1/3 2/3 .5 .04 .0107 .0107 .0115 .00535 0 0 |
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FeM2 1/3 2/3 .5 .05 .0107 .0107 .0115 .00535 0 0 |
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AlM2 1/3 2/3 .5 .32 .0107 .0107 .0115 .00535 0 0 |
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SiM2 1/3 2/3 .5 .22 .0107 .0107 .0115 .00535 0 0 |
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MgM3 1/3 2/3 0 .01 .0057 .0057 .0049 .00285 0 0 |
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FeM3 1/3 2/3 0 .02 .0057 .0057 .0049 .00285 0 0 |
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AlM3 1/3 2/3 0 .10 .0057 .0057 .0049 .00285 0 0 |
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SiM3 1/3 2/3 0 .07 .0057 .0057 .0049 .00285 0 0 |
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O .6659 0 .2500 .0171 .0174 .0173 .0087 -.0042 0 |
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CaPtO3 |
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Ohgushi K, Matsushita Y, Miyajima N, Katsuya Y,Tanaka M, Izumi F, Gotou H, Ueda Y, Yagi T |
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Physics and Chemistry of Minerals 35 (2008) 189-195 |
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CaPtO3 as a novel post-perovskite oxide |
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_database_code_amcsd 0009131 |
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3.12607 9.91983 7.35059 90 90 90 Cmcm |
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atom x y z |
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Ca 0 .2500 .25 |
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Pt 0 0 0 |
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O1 .5 .4253 .25 |
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O2 .5 .1230 .0451 |
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Boron |
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Zarechnaya E Y, Dubrovinsky L, Dubrovinskaia N, Filinchuk Y, Chernyshov D, Dmitriev V, |
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Miyajima N, El Goresy A, Braun H F, Van Smaalen S, Kantor I, Kantor A, Prakapenka V, |
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Hanfland M, Mikhaylushkin A S, Abrikosov I A, Simak S I |
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Physical Review Letters 102 (2009) 185501-1185501-4 |
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Superhard semiconducting optically transparent high pressure phase of boron |
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Note: crystal quenched from 20 GPa, 1700 K |
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Locality: synthetic |
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_database_code_amcsd 0015285 |
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5.0576 5.6245 6.9884 90 90 90 Pnnm |
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atom x y z |
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B1 .1539 .5938 .7924 |
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B2 .6469 .7284 .5 |
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B3 .3362 .5076 0 |
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B4 .8391 .7189 .8737 |
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B5 .6690 .9823 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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