ThPt3+xBe (x = 0.08): Crystal Structure and Physical Properties. Issue 1 (20th December 2016)

• Record Type: Journal Article
• Authors: Gumeniuk, Roman; Kohout, Miroslav; Schnelle, Walter; Burkhardt, Ulrich; Zschornak, Matthias; Leithe‐Jasper, Andreas
• Is Part Of: European journal of inorganic chemistry. Issue 1(2017)
• Page Start: 179
• Page End: 185
• Publication Date: 2016-12-20
• Subjects: Solid‐state structures -- Intermetallic phases -- Electronic structure -- Magnetic properties -- Density functional calculations; Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.201601237
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract : ThPt3+ x Be ( x = 0.08) is synthesized by arc melting of a mixture of the elements. It crystallizes with its own type of structure [space group I 4/ mmm (No. 139), a = 7.7370(4), c = 11.4990(6) Å], which can be related to the cubic Ru3 Sn7 and W2 Cr21 C6 types. Measurements of magnetic susceptibility, electrical resistivity and specific heat indicate ThPt3+ x Be ( x = 0.08) to be a diamagnet [ χ 0 = –9.0(3) × 10 –6 emu mol –1 ] with metallic electrical resistivity, in good agreement with the calculated electronic structure [ N ( E F ) = 3.2 states eV –1 f.u. –1 ]. A chemical bonding analysis was performed by the QTAIM and ELI‐D approaches. Abstract : ThPt3+ x Be ( x = 0.08) crystallizes with a unique type of structure, which can be related to the cubic Ru3 Sn7 and W2 Cr21 C6 types. It is a diamagnet with metallic‐like electrical conductivity.