Synthesis, crystal and electronic structures of La3Cr2N6

✍ Scribed by François Cheviré; Chinmoy Ranjan; Francis J. DiSalvo

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 1016 KB
• Volume: 149
• Category: Article
• ISSN: 0038-1098
• DOI: 10.1016/j.ssc.2008.12.004

✦ Synopsis

The rare earth-transition metal ternary nitride La 3 Cr 2 N 6 was synthesized from the elements and an excess of sodium and gallium at 900 • C in a sealed niobium tube. This compound crystallizes in the tetragonal space group I4/mmm (No. 139) with a = 3.8525(5) Å and c = 20.508(4) Å. It is isostructural with the recently discovered ternary nitrides R 3 M 2 N 6 (R = La, Ce or Pr; M = V, Nb or Ta) and with the high T c superconducting copper oxide La 2-x Sr x CaCu 2 O 6 . Band structure calculations using density functional theory show that La 3 Cr 2 N 6 contains CrN 2 conducting layers.