Crystal structure of 3-R Nb/sub 1/ /sub 06/S/sub 2/

Journal Article · Wed Apr 01 00:00:00 EST 1981 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(81)90078-5· OSTI ID:6324327

Powell, D R; Jacobson, R A

The x-ray single crystal structure of 3-R Nb/sub 1/ /sub 06/S/sub 2/ has been determined. The material crystallizes in the space group R/sub 3m/ with a = 3.3285(4) and c = 17.910(04) A when indexed on a hexagonal lattice. The structure was refined by full matrix least squares procedures to a final residual of R = 0.026 based on 79 observed (I > 3 sigma/sub 1/) reflections. The sulfurs form closest-packed layers with the majority of the metal in sheets of trigonal prismatic sites. A small portion of niobium was found to occupy octahedral sites, between the van der Waals gaps of the sulfur lattice. Niobium in the van der Waals region is trigonally distorted from octahedral symmetry, with niobium-sulfur distances of 2.234(8) and 2.577(11) A, because of repulsion from niobium in adjacent trigonal prismatic layers.

• Research Organization: Ames Lab., IA
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 6324327
• Journal Information: J. Solid State Chem.; (United States), Vol. 37:2
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
NIOBIUM SULFIDES
HEXAGONAL LATTICES
BOND ANGLE
BOND LENGTHS
EXPERIMENTAL DATA
X-RAY DIFFRACTION
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DATA
DIFFRACTION
DIMENSIONS
INFORMATION
LENGTH
NIOBIUM COMPOUNDS
NUMERICAL DATA
SCATTERING
SULFIDES
SULFUR COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
400201* - Chemical & Physicochemical Properties