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Neutron Powder Diffraction of Nb 2 BN 1‐x
Author(s) -
Rogl Peter,
Klesnar Helmuth,
Fischer Peter
Publication year - 1988
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1988.tb07526.x
Subject(s) - crystallography , zigzag , neutron diffraction , materials science , boron nitride , boron , octahedron , crystal structure , atom (system on chip) , powder diffraction , rietveld refinement , single crystal , chemistry , nanotechnology , geometry , mathematics , organic chemistry , computer science , embedded system
The crystal structure of Nb 2 BN 1‐x was determined from X‐ray powder photographs; precise atom parameters, atom occupancies, and atom order were derived from room‐temperature neutron powder diffraction data employing the Rietveld profile analysis method. The final reliability value of the refinement was R=0.031. Nb 2 BN 1‐x is the first boron nitride representative of the Mo 2 BC‐type structure crystallizing with the space group Cmcm‐D 17 2h No. 63. Boron atoms in triangular prismatic coordination [Nb 6 B] are at a distance of 0.184 nm and form zigzag chains parallel to the c axis; the angle in the boron zigzag chain is 115.4°. Nitrogen atoms occupythe octahedral voids and are coordinated by six Nb atoms. With no N‐N and no N‐B contacts, the crystal structure of Nb 2 BN 1‐x represents the first typical transition‐metal boron nitride.