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SnxPt4SnySb12-y |
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Liang Y, Borrmann H, Baenitz M, Schnelle W, Budnyk S, Zhao J T, Grin Y |
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Inorganic Chemistry 47 (2008) 9489-9496 |
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SnxPt4SnySb12-y: A skutterudite with covalently bonded filler |
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Locality: synthetic |
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_database_code_amcsd 0017604 |
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9.3887 9.3887 9.3887 90 90 90 Im3 |
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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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Pt .25 .25 .25 .00686 .00686 .00686 .00686 .00152 .00152 .00152 |
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Sb .35450 0 .15801 .449 .00987 .0125 .0068 .0103 0 .0021 0 |
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Sn1 .33395 0 .15284 .531 .00905 .0131 .0057 .0083 0 .00063 0 |
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Sn2 .076 .021 .076 .038 .032 .029 .038 .030 -.012 -.010 -.007 |
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Phosphorus |
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Simon A, Borrmann H, Craubner H |
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Phosphorus and Sulfur and the Related Elements 30 (1987) 507-510 |
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Crystal structure of ordered white phosphorus (beta-P) |
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Locality: synthetic |
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Sample: at T = 158.15 K |
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Note: beta phase; transforms from alpha phase at T = 196.75 K |
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_database_code_amcsd 0014997 |
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11.450 5.503 11.261 71.84 90.37 71.56 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(2,3) U(1,3) U(1,2) |
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Pl .67802 .39370 .00247 .0515 .0360 .0496 .0587 -.0196 -.0048 .0005 |
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P2 .52922 .88513 .17722 .0520 .0639 .0528 .0305 .0003 -.0045 -.0218 |
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P3 .18938 .92202 .05123 .0513 .0660 .0445 .0485 -.0294 -.0047 -.0115 |
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P4 .55505 .84909 .37360 .0501 .0640 .0472 .0462 -.0289 -.0002 -.0151 |
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P5 .02641 .34671 .31490 .0496 .0392 .0627 .0501 -.0222 -.0093 -.0180 |
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P6 .87186 .35722 .01126 .0506 .0510 .0486 .0628 -.0191 .0051 -.0303 |
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P7 .67157 .53535 .30808 .0560 .0409 .0472 .0709 -.0251 .0006 .0026 |
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P8 .47750 .58127 .31956 .0516 .0534 .0467 .0567 -.0076 -.0017 -.0291 |
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P9 .13526 .55621 .37416 .0480 .0598 .0353 .0576 -.0216 .0057 -.0216 |
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P10 .81346 .05347 .14518 .0526 .0644 .0481 .0323 -.0001 -.0008 -.0148 |
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P1l .14244 .15713 .49419 .0480 .0595 .0465 .0305 -.0040 -.0004 -.0163 |
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P12 .22608 .20514 .31893 .0505 .0439 .0523 .0515 -.0239 .0135 -.0041 |
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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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