A structural investigation of Ag0.167TiS2 by time-of-flight neutron powder diffraction

G. L. Burr; V. G. Young; M. J. McKelvy; W. S. Glaunsinger; R. B. Von Dreele

doi:10.1016/0022-4596(90)90333-S

A structural investigation of Ag_0.167TiS₂ by time-of-flight neutron powder diffraction

G. L. Burr, V. G. Young, M. J. McKelvy, W. S. Glaunsinger, R. B. Von Dreele

Chemistry (Twin Cities)

Research output: Contribution to journal › Article

7 Scopus citations

Abstract

The structure of Ag_0.167TiS₂ has been determined at several temperatures from time-of-flight neutron powder diffraction data. At 305 K, Ag_0.167TiS₂ is a stage-II complex which belongs to the space groupP3-m1, witha = 3.4161(4)Åandc = 12.100(2)Å. When the temperature is lowered to 13 K, the lattice parameters decrease, but no phase change or superlattice formation is observed. Upon heating to 1123 K, this compound transforms to a stage-I structure belonging to the space groupP3-m1, witha = 3.4676(1)Åandc = 6.2247(4)Å. No further phase changes are observed when the temperature is raised to 1323 K. When this compound is slowly cooled to ambient temperature from 1323 K, it transforms quantitatively to the original stage-II structure. The Rietveld refinements of Ag_0.167TiS₂ at six temperatures are presented and discussed.

Original language	English (US)
Pages (from-to)	355-364
Number of pages	10
Journal	Journal of Solid State Chemistry
Volume	84
Issue number	2
DOIs	https://doi.org/10.1016/0022-4596(90)90333-S
State	Published - Feb 1990

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Burr, G. L., Young, V. G., McKelvy, M. J., Glaunsinger, W. S., & Von Dreele, R. B. (1990). A structural investigation of Ag_0.167TiS₂ by time-of-flight neutron powder diffraction. Journal of Solid State Chemistry, 84(2), 355-364. https://doi.org/10.1016/0022-4596(90)90333-S

@article{46fe392f0b0e4906b07b5b1277c8f086,

title = "A structural investigation of Ag0.167TiS2 by time-of-flight neutron powder diffraction",

abstract = "The structure of Ag0.167TiS2 has been determined at several temperatures from time-of-flight neutron powder diffraction data. At 305 K, Ag0.167TiS2 is a stage-II complex which belongs to the space groupP3-m1, witha = 3.4161(4){\AA}andc = 12.100(2){\AA}. When the temperature is lowered to 13 K, the lattice parameters decrease, but no phase change or superlattice formation is observed. Upon heating to 1123 K, this compound transforms to a stage-I structure belonging to the space groupP3-m1, witha = 3.4676(1){\AA}andc = 6.2247(4){\AA}. No further phase changes are observed when the temperature is raised to 1323 K. When this compound is slowly cooled to ambient temperature from 1323 K, it transforms quantitatively to the original stage-II structure. The Rietveld refinements of Ag0.167TiS2 at six temperatures are presented and discussed.",

author = "Burr, {G. L.} and Young, {V. G.} and McKelvy, {M. J.} and Glaunsinger, {W. S.} and {Von Dreele}, {R. B.}",

year = "1990",

month = feb,

doi = "10.1016/0022-4596(90)90333-S",

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volume = "84",

pages = "355--364",

journal = "Journal of Solid State Chemistry",

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T1 - A structural investigation of Ag0.167TiS2 by time-of-flight neutron powder diffraction

AU - Burr, G. L.

AU - Young, V. G.

AU - McKelvy, M. J.

AU - Glaunsinger, W. S.

AU - Von Dreele, R. B.

PY - 1990/2

Y1 - 1990/2

N2 - The structure of Ag0.167TiS2 has been determined at several temperatures from time-of-flight neutron powder diffraction data. At 305 K, Ag0.167TiS2 is a stage-II complex which belongs to the space groupP3-m1, witha = 3.4161(4)Åandc = 12.100(2)Å. When the temperature is lowered to 13 K, the lattice parameters decrease, but no phase change or superlattice formation is observed. Upon heating to 1123 K, this compound transforms to a stage-I structure belonging to the space groupP3-m1, witha = 3.4676(1)Åandc = 6.2247(4)Å. No further phase changes are observed when the temperature is raised to 1323 K. When this compound is slowly cooled to ambient temperature from 1323 K, it transforms quantitatively to the original stage-II structure. The Rietveld refinements of Ag0.167TiS2 at six temperatures are presented and discussed.

AB - The structure of Ag0.167TiS2 has been determined at several temperatures from time-of-flight neutron powder diffraction data. At 305 K, Ag0.167TiS2 is a stage-II complex which belongs to the space groupP3-m1, witha = 3.4161(4)Åandc = 12.100(2)Å. When the temperature is lowered to 13 K, the lattice parameters decrease, but no phase change or superlattice formation is observed. Upon heating to 1123 K, this compound transforms to a stage-I structure belonging to the space groupP3-m1, witha = 3.4676(1)Åandc = 6.2247(4)Å. No further phase changes are observed when the temperature is raised to 1323 K. When this compound is slowly cooled to ambient temperature from 1323 K, it transforms quantitatively to the original stage-II structure. The Rietveld refinements of Ag0.167TiS2 at six temperatures are presented and discussed.

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