Structure of a new polymorph of lithium boron nitride, Li3BN2

Hisanori Yamane, Shinichi Kikkawa, Hiroyuki Horiuchi, Mitsue Koizumi

研究成果: Article査読

32 被引用数 (Scopus)


A new polymorph of lithium boron nitride, Li3BN2, was synthesized by slow-cooling of a mixture of Li3N and BN from 1200 K. It has monoclinic symmetry, P21 c, a = 5.1502(2), b = 7.0824(2), c = 6.7908(2) Å, β = 112.956(2)°, Z = 4, Dm = 1.74, Dcalcd = 1.737 g cm-3, μ = 0.082 mm-1. The structure was determined from 1352 unique X-ray reflections from a single crystal and refined to R = 0.023 by full-matrix least-squares method. Two kinds of layers alternate parallel to (100) in the structure. One layer includes Li and B atoms, and the other is composed of only N atoms. N(1) and N(2) are coordinated by six Li atoms and one B atom. Each Li atom is in a distorted tetrahedron of N atoms. Boron is linearly coordinated by two N atoms. The N(1)BN(2) bond angle is 179.12(4)°. The bond lengths of N(1)B and N(2)B are 1.3393(5) and 1.3361(5) Å, respectively. Bonding electrons between boron and nitrogen atoms are clearly observed. Lithium ion conductivity of 6 × 10-5 Sm-1 was measured at 400 K on a polycrystalline sample and an activation energy was 64 kJ/mole.

ジャーナルJournal of Solid State Chemistry
出版ステータスPublished - 1986 11月 1

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • セラミックおよび複合材料
  • 凝縮系物理学
  • 物理化学および理論化学
  • 無機化学
  • 材料化学


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