n125491SE Academic Article uri icon


  • The unique structures of newly synthesized transition metal nitrides call for a description of their electronic structures that enables us to understand these compounds' bonding and properties. The compounds BaNiN, M2Li[Fe2N3] (M = Sr, Ba), and M2[FeN2] (M = Ca, Sr) are examined through a local analysis of their band structure. The role of kinks in BaNiN is also studied as is the construction of 1[(FeN3/2)25] chains through the condensation of [Fe2N4]8dimers. The local description aids in understanding the role of metal-metal interactions in these systems. Using the results of this analysis, spin states and conductive properties of these novel compounds are discussed. 1993, American Chemical Society. All rights reserved.

published proceedings

  • Inorganic Chemistry

author list (cited authors)

  • Green, M. T., & Hughbanks, T.

publication date

  • January 1, 1993 11:11 AM