Structure of a new polymorph of lithium boron nitride, Li/sub 3/BN/sub 2/

Journal Article · Sat Nov 01 00:00:00 EST 1986 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(86)90084-8· OSTI ID:7139426

Yamane, H; Kikkawa, S; Horiuchi, H; Koizumi, M

A new polymorph of lithium boron nitride, Li/sub 3/BN/sub 2/, was synthesized by slow-cooling of a mixture of Li/sub 3/N and BN from 1200 K. It has monoclinic symmetry, P2/sup 1//c, a = 5.1502(2), b = 7.0824(2), c = 6.7908(2) A, ..beta.. = 112.956(2)/sup 0/, Z = 4, D/sub m/ = 1.74, D/sub calcd/ = 1.737 g cm/sup -3/, ..mu.. = 0.082 mm/sup -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)single bond B single bond N(2) bond angle is 179.12(4)/sup 0/. The bond lengths of N(1)single bond B and N(2)single bond B are 1.3393(5) S, respectively. Bonding electrons between boron and nitrogen atoms are clearly observed. Lithium ion conductivity of 6 x 10/sup -5/ Sm/sup -1/ was measured at 400 K on a polycrystalline sample and an activation energy was 64 kJ/mole.

• Research Organization: Osaka Univ., Japan
• OSTI ID: 7139426
• Journal Information: J. Solid State Chem.; (United States), Vol. 65:1
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
25 ENERGY STORAGE
BORON NITRIDES
CRYSTAL STRUCTURE
CRYSTALLIZATION
LITHIUM COMPLEXES
BOND ANGLE
BOND LENGTHS
EXPERIMENTAL DATA
MONOCRYSTALS
SPACE GROUPS
X-RAY DIFFRACTION
BORON COMPOUNDS
COHERENT SCATTERING
COMPLEXES
CRYSTALS
DATA
DIFFRACTION
DIMENSIONS
INFORMATION
LENGTH
NITRIDES
NITROGEN COMPOUNDS
NUMERICAL DATA
PHASE TRANSFORMATIONS
PNICTIDES
SCATTERING
360202* - Ceramics
Cermets
& Refractories- Structure & Phase Studies
250903 - Energy Storage- Batteries- Materials
Components
& Auxiliaries
360201 - Ceramics
Cermets
& Refractories- Preparation & Fabrication