SnxPt4SnySb12-y: A skutterudite with covalently bonded filler

Inorganic Chemistry

Volumn 47, Issue 20, 2008, Pages 9489-9496

  Liang, Y ^a,b,c   Borrmann, H ^a   Baenitz, M ^a   Schnelle, W ^a   Budnyk, S ^a   Zhao, J T ^b   Grin, Yu ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b SHANGHAI INSTITUTE OF CERAMICS   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 55249085633     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic801154a     Document Type: Article

References (44)

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33. Space group P1, a = b = c = 9.3779 Å, α = β = γ = 90°, all atoms in the general 1(a) site with the following atomic coordinates and sphere radii: Pt1 (0.2500, 0.2500, 0.2500), r = 1.745 Å Pt2 (0.2500, 0.2500, 0.7500), r = 1.746 Å; Pt3 (0.2500, 0.7500,0.7500), r = 1.745 Å Pt4 (0.2500, 0.7500, 0.2500), r = 1.745 Å; Pt5 (0.7500, 0.7500, 0.2500), r = 1.745 Å Pt6 (0.7500, 0.7500, 0.7500), r = 1.745 Å; Pt7 (0.7500,0.2500,0.7500), r = 1.739 Å; Pt8 (0.7500, 0.2500, 0.2500), r = 1.739 Å Sn1-1 (0.5000, 0.6528, 0.8339), r = 1.817 Å; Sn1-2 (0.8340, 0.5000, 0.3472), r = 1.818 Å; Sn1-3 (0.6528, 0.8340, 0.5000), r = 1.711 Å Sn1-4 (0.8340, 0.5000, 0.6528), r = 1.818 Å; Sn1-5 (0.1528, 0.3340, 0.0000), r = 1.818 Å Sn1-6 (0.3340, 0.0000, 0.1528), r = 1.818 Å; Sn1-7 (0.6528, 0.1661, 0.5000), r = 1.824 Å; Sn1-8 (0.8432, 0.3340, 0.0000), r = 1.807 Å; Sn1-9 (0.1661, 0.5000, 0.6528), r = 1.817 Å; Sn1-10 (0.3340, 0.0000, 0.8472), r = 1.818 Å; Sn1-11 (0.0000, 0.8472, 0.3340), r = 1.818 Å; Sn1-12 (0.0000, 0.1528, 0.6661), r = 1.817 Å Sn1-13 (0.5000, 0.6580, 0.1455), r = 1.882 Å Sb1-1 (0.0000, 0.8420, 0.6455), r = 1.882 Å; Sb1-2 (0.6455, 0.0000, 0.8420), r = 1.883 Å Sb1-3 (0.6455, 0.0000, 0.1580), r = 1.883 Å Sb1-4 (0.8420, 0.6455, 0.0000), r = 1.883 Å; Sb1-5 (0.1455, 0.5000, 0.3420), r = 1.882 Å; Sb1-6 (0.3420, 0.1455, 0.5000), r = 1.844 Å; Sb1-7 (0.5000, 0.3420, 0.1455), r = 1.844 Å; Sb1-8 (0.0000, 0.1580, 0.3545), r = 1.882 Å; Sb1-9 (0.5000, 0.3420, 0.8545), r = 1.844 Å; Sb1-10 (0.1580, 0.6455, 0.0000), r = 1.882 Å; Sb1-11 (0.3420, 0.8545, 0.5000), r = 1.844 Å; Sn2 (0.5764, 0.5759, 0.5209), r = 1.711 Å. For the "ideal" model, the Sn2 atom was located at (0.5000, 0.5000, 0.5000) with r = 2.082 Å.
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