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Phys."},{"key":"ref30\/cit30","unstructured":"Space groupP1,a=b=c= 9.3779 \u00c5, \u03b1 = \u03b2 = \u03b3 = 90\u00b0, 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 \u00c5; Pt2 (0.2500, 0.2500, 0.7500),r= 1.746 \u00c5; Pt3 (0.2500, 0.7500, 0.7500),r= 1.745 \u00c5; Pt4 (0.2500, 0.7500, 0.2500),r= 1.745 \u00c5; Pt5 (0.7500, 0.7500, 0.2500),r= 1.745 \u00c5; Pt6 (0.7500, 0.7500, 0.7500),r= 1.745 \u00c5; Pt7 (0.7500, 0.2500, 0.7500),r= 1.739 \u00c5; Pt8 (0.7500, 0.2500, 0.2500),r= 1.739 \u00c5; Sn1\u22121 (0.5000, 0.6528, 0.8339),r= 1.817 \u00c5; Sn1\u22122 (0.8340, 0.5000, 0.3472),r= 1.818 \u00c5; Sn1\u22123 (0.6528, 0.8340, 0.5000),r= 1.711 \u00c5; Sn1\u22124 (0.8340, 0.5000, 0.6528),r= 1.818 \u00c5; Sn1\u22125 (0.1528, 0.3340, 0.0000),r= 1.818 \u00c5; Sn1\u22126 (0.3340, 0.0000, 0.1528),r= 1.818 \u00c5; Sn1\u22127 (0.6528, 0.1661, 0.5000),r= 1.824 \u00c5; Sn1\u22128 (0.8432, 0.3340, 0.0000),r= 1.807 \u00c5; Sn1\u22129 (0.1661, 0.5000, 0.6528),r= 1.817 \u00c5; Sn1\u221210 (0.3340, 0.0000, 0.8472),r= 1.818 \u00c5; Sn1\u221211 (0.0000, 0.8472, 0.3340),r= 1.818 \u00c5; Sn1\u221212 (0.0000, 0.1528, 0.6661),r= 1.817 \u00c5; Sn1\u221213 (0.5000, 0.6580, 0.1455),r= 1.882 \u00c5; Sb1\u22121 (0.0000, 0.8420, 0.6455),r= 1.882 \u00c5; Sb1\u22122 (0.6455, 0.0000, 0.8420),r= 1.883 \u00c5; Sb1\u22123 (0.6455, 0.0000, 0.1580),r= 1.883 \u00c5; Sb1\u22124 (0.8420, 0.6455, 0.0000),r= 1.883 \u00c5; Sb1\u22125 (0.1455, 0.5000, 0.3420),r= 1.882 \u00c5; Sb1\u22126 (0.3420, 0.1455, 0.5000),r= 1.844 \u00c5; Sb1\u22127 (0.5000, 0.3420, 0.1455),r= 1.844 \u00c5; Sb1\u22128 (0.0000, 0.1580, 0.3545),r= 1.882 \u00c5; Sb1\u22129 (0.5000, 0.3420, 0.8545),r= 1.844 \u00c5; Sb1\u221210 (0.1580, 0.6455, 0.0000),r= 1.882 \u00c5; Sb1\u221211 (0.3420, 0.8545, 0.5000),r= 1.844 \u00c5; Sn2 (0.5764, 0.5759, 0.5209),r= 1.711 \u00c5. For the \u201cideal\u201d model, the Sn2 atom was located at (0.5000, 0.5000, 0.5000) withr= 2.082 \u00c5."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1002\/qua.10768","volume":"97","author":"Kohout M.","year":"2004","journal-title":"Int. J. Quantum Chem."},{"key":"ref32\/cit32","unstructured":"Kohout, M.Basin; version4.2; 2007."},{"key":"ref33\/cit33","volume-title":"Atoms in molecules: a quantum theory","author":"Bader R. F. W.","year":"1999"},{"key":"ref34\/cit34","volume-title":"The Elements","author":"Emsley J.","year":"1989"},{"key":"ref35\/cit35","volume-title":"Dopov. Akad. Nauk Ukr. RSR, Ser. A","author":"Gladyshevsky R. E.;"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1002\/zaac.19946200302","volume":"620","author":"Breese N. E.","year":"1994","journal-title":"Z. Anorg. Allg. 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