View : 17 Download: 0

Crystal and electronic structures of one-dimensional transition metal thiophosphates: ANB2PS10 (A=Na, Ag)

Title
Crystal and electronic structures of one-dimensional transition metal thiophosphates: ANB2PS10 (A=Na, Ag)
Authors
Goh E.-Y.Kim S.-J.Jung D.
Ewha Authors
김성진
SCOPUS Author ID
김성진scopus
Issue Date
2002
Journal Title
Journal of Solid State Chemistry
ISSN
0022-4596JCR Link
Citation
vol. 168, no. 1, pp. 119 - 125
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
A new quaternary compound NaNb2PS10 was prepared by reacting the mixture of Nb, P2S5, S and Na2S at 750°C. AgNb2PS10 was also synthesized by the direct solid-state reaction of Ag, Nb, P and S at 900°C. Their structures were determined by single-crystal X-ray diffraction method. The needle-shape crystals of the two compounds crystallize in the common monoclinic space group C2/c. NaNb2PS10 crystallizes into purple crystals with cell dimensions of a = 24.7634(10) Å, b = 7.8407(11) Å, c = 12.947(3) Å, β = 90.83(2)° and Z = 8. AgNb2PS10 had dark-gray crystals with cell dimensions of a = 23.9609(10) Å, b = 7.7692(11) Å, c = 12.910(3) Å, β = 94.49(2)° and Z = 8. These structures consist of one-dimensional infinite chains built by [Nb2S12] and [PS4] units. The Nb atoms are centered in distorted bicapped trigonal prismatic polyhedra and the neighboring polyhedra share square faces and edges to make Nb-Nb pairs. [PS4] units are tetrahedra composed of one S atom at the prism corner and two other capping S atoms and an additional S atom. Ag+ and Na+ cations in NaNb2PS10 and AgNb2PS10 reside in the van der Waals gap of sulfur atoms between infinite chains. Calculation of the electronic structure shows that the two compounds are semiconducting materials. Optically measured band gaps were 1.72 and 1.77 eV for NaNb2PS10 and AgNb2PS10, respectively. © 2002 Elsevier Science (USA).
DOI
10.1006/jssc.2002.9698
Appears in Collections:
자연과학대학 > 화학·나노과학전공 > Journal papers
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE