Hostname: page-component-586b7cd67f-r5fsc Total loading time: 0 Render date: 2024-11-24T18:03:37.005Z Has data issue: false hasContentIssue false

Improved crystallographic data for graphite

Published online by Cambridge University Press:  06 March 2012

J. Y. Howe
Affiliation:
School of Ceramic Engineering and Materials Science, Alfred University, Alfred, New York 14802
C. J. Rawn
Affiliation:
High Temperature Materials Laboratory, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
L. E. Jones
Affiliation:
School of Ceramic Engineering and Materials Science, Alfred University, Alfred, New York 14802
H. Ow
Affiliation:
School of Ceramic Engineering and Materials Science, Alfred University, Alfred, New York 14802

Abstract

Powder diffraction pattern of SP-1 graphite has been obtained using synchrotron X-ray diffraction. Unit cell dimensions were calculated using a least-squares analysis that refined to a |Δ2θ°| of no more than 0.007. A hexagonal cell was determined with a space group of P63/mmc (194), a=2.4617(2) and c=6.7106 (4) Å. The Smith/Synder figure of merit is 167 based upon 11 peaks, which indicates that the quality of this data set is superior to the existing PDF card for graphite, 41-1487. It is also emphasized that the interlayer spacing of graphite should be 3.355(1) Å. Using GAS and EXPGUI codes, a new set of calculated powder diffraction data based upon the interlayer spacing of 3.555 Å is generated. A comparison with the current calculated card, 75-1621, has also been made.

Type
New Diffraction Data
Copyright
Copyright © Cambridge University Press 2005

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Allardice, D. J.and Walker, P. L. Jr. (1970). “The Effect of Substitutional Boron on the Kinetics of the Carbon-Oxygen Reaction,” Carbon CRBNAH 8, 375385. car, CRBNAH CrossRefGoogle Scholar
Baerlocher, C.and McCusker, L. B. (1994). “Practical Aspects of Powder Diffraction Data Analysis,” Stud. Surf. Sci. Catal. SSCTDM 85, 391427. ssd, SSCTDM CrossRefGoogle Scholar
Chakoumakos, B. (2000). Oak Ridge National Laboratory, Oak Ridge, TN (private communication).Google Scholar
Franklin, R. E. (1951). “The Structure of Graphtic Carbons,” Acta Crystallogr. ACCRA9 4, 253261. acc, ACCRA9 CrossRefGoogle Scholar
Hassel, O.and Mark, H. (1924). “Uber die Kristallstruktur des Graphis,” Z. Phys. ZEPYAA 25, 317337. zep, ZEPYAA CrossRefGoogle Scholar
Holcombe, C. E. (1973). USAEC Oak Ridge Y-12 Plant, Report Y 1887.Google Scholar
Huang, T. C., Parrish, W., Masciocchi, N., and Wang, P. W. (1990). “Derivation of d-Values from Digitized X-ray and Synchrotron Diffraction Data,” Adv. X-ray Anal. AXRAAA 33, 295303. axr, AXRAAA Google Scholar
Ismail, I. M. K. (2001). Air Force Research Laboratory, Edwards AFB, CA (private communication).Google Scholar
Larson, A. C. and Von Dreele, R. B. (2000). “General Structure Analysis System (GSAS),” Los Alamos National Laboratory Report No. LAUR 86-748.Google Scholar
McCusker, L. B., Von Dreele, R. B., Cox, D. E., Louer, D., and Scardi, P. (1999). “Rietveld Refinement Guidelines,” J. Appl. Crystallogr. JACGAR 32, 3650. acr, JACGAR CrossRefGoogle Scholar
Oberlin, A. (1989). In Chemistry and Physics of Carbon, edited by P. A. Thrower (Marcel Dekker, New York), Vol. 22, pp. 133–135.Google Scholar
Oberlin, A. (2000). CNRS-Orleans University, France (private communication).Google Scholar
PDF 25-284, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
PDF 27-1402, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
PDF 34-427, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
PDF 41-1487, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
PDF 46-1212, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
PDF 75-1621, International Centre for Diffraction Data, Newtown Square, PA, 2001.Google Scholar
Ranish, J. M. (1984). Ph.D. thesis, The Pennsylvania State University.Google Scholar
Ruland, W. (1968). In Chemistry and Physics of Carbon, edited by P. L. Walker, Jr. (Dekker, New York), Vol. 4, pp. 28–33.Google Scholar
Toby, B. H. (2001). “EXPGUI, a graphical user interface for GSAS,” J. Appl. Crystallogr. JACGAR 34, 210213. acr, JACGAR CrossRefGoogle Scholar
Trucano, P.and Chen, R. (1975). “Structure of Graphite by Neutron Diffraction,” Nature (London) NATUAS 258, 136137. nat, NATUAS Google Scholar
Walker, P. L. Jr., Austin, L., and Tietjen, J. (1965). In Chemistry and Physics of Carbon, edited by P. L. Walker, Jr. (Dekker, New York), Vol. 1, pp. 342–343.Google Scholar