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Phosphorus: New in situ powder data from large-volume apparatus

Published online by Cambridge University Press:  06 March 2012

Wilson A. Crichton ,
Mohamed Mezouar ,
Giulio Monaco  and
Sara Falconi
Wilson A. Crichton*
Affiliation:
European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble Cedex, France
Mohamed Mezouar
Affiliation:
European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble Cedex, France
Giulio Monaco
Affiliation:
European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble Cedex, France
Sara Falconi
Affiliation:
Università degli Studi di Roma Tre and INFM, Dipartimento di Fisica, I-00146 Roma, Italy
*
a)Electronic mail: [email protected]
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Abstract

Improved X-ray powder diffraction data for orthorhombic phosphorus, S.G. C mca (64) obtained in situ at synthesis conditions of 1.2 GPa and 1100 K, are described. Representative, as synthesized, data include 2.552X, 3.3204, 2.5953, 5.1912, 1.6302, for least-squares unit-cell a=3.3182(6) Å, b=10.3744(18) Å and c=4.3227(9) Å. As an illustration of the quality of the data, the structure was solved from powder XRD and Rietveld refined to give a=3.3199(2) Å, b= 10.3678(4) Å, c=4.3154(2)Å, and V=148.535(12) Å3 with the P atom on 8f (1/2, y,z) with y=0.1044(22) and z=0.9179(7).

Keywords

phosphorusnonambient conditionssynchrotronpowder diffraction, high pressureSDPDsynthesis
Type
New Diffraction Data
Information
Powder Diffraction , Volume 18 , Issue 2 , June 2003 , pp. 155 - 158
Copyright
Copyright © Cambridge University Press 2005

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References

Akahama, Y., Kawamura, H., Carlson, S., Le Bihan, T., and Haüsermann, D. (2000). “Structural stability and equation of state of simple hexagonal phosphorus to 280 GPa: Phase transition at 262 GPa,” Phys. Rev. B PRBMDO 61, 3139–3142. prb, PRBMDO CrossRefGoogle Scholar
Bridgman, P. W. (1914). “Two new modifications of phosphorus,” J. Am. Chem. Soc. JACSAT 36, 1344–1363. acs, JACSAT CrossRefGoogle Scholar
Brazhkin, V. V.and Zerr, A. Ju. (1992). “Relative stability of red and black phosphorus at P<1 GPa,” J. Mater. Sci. JMTSAS 27, 2677–2681. jmt, JMTSAS CrossRefGoogle Scholar
Brown, A.and Rundqvist, S. (1965). “Refinement of the crystal structure of black phosphorus,” Acta Crystallogr. ACCRA9 19, 684–685. acc, ACCRA9 CrossRefGoogle Scholar
Cartz, L., Srinivasa, S. R., Riedner, R. J., Jorgensen, J. D., and Worlton, T. G. (1979). “Effect of pressure on the bonding in black phosphorus,” J. Chem. Phys. JCPSA6 71, 1718–1721. jcp, JCPSA6 CrossRefGoogle Scholar
Corbridge, D. E. C. (1990). Studies in Inorganic Chemistry, Series number 10. Phosphorus, 4th ed. (Elsevier, Amsterdam), Sec. 2.1.Google Scholar
Crichton, W. A., Vaughan, G. M. B., and Mezouar, M. (2001). “In situ structure solution of sulphur at 3 GPa and 400 °C,” Z. Kristallogr. ZEKRDZ 216, 417–419. zek, ZEKRDZ CrossRefGoogle Scholar
Endo, S., Akahama, Y., Terada, S., and Narita, S. (1982). “Growth of large single-crystals of black phosphorus under high-pressure,” Jpn. J. Appl. Phys., Part 2 JAPLD8 21, L482–L484. jjc, JAPLD8 CrossRefGoogle Scholar
Hammersley, A. P., Svensson, S. O., Thompson, A., Graafsma, H., Kvick, A., and Moy, J. P. (1995). “Calibration and correction of distortions in two dimensional detector systems,” Rev. Sci. Instrum. RSINAK 66, 2729–2733. rsi, RSINAK CrossRefGoogle Scholar
Hammersley, A. P., Svensson, S. O., Hanfland, M., Fitch, A. N., and Haüsermann, D. (1996). “Two dimensional detector software: From real detector to idealised image of two-theta scan,” High Press. Res. HPRSEL 14, 235–248. hpr, HPRSEL CrossRefGoogle Scholar
Hultgren, R., Gingrich, N. S., and Warren, B. E. (1935). “The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus,” J. Chem. Phys. JCPSA6 3, 351. jcp, JCPSA6 CrossRefGoogle Scholar
Hundt, R., Schön, J. C., Hannemann, A., and Jansen, M. (1999). “Determination of symmetries and idealized cell parameters from simulated structures,” J. Appl. Crystallogr. JACGAR 32, 413–416. acr, JACGAR CrossRefGoogle Scholar
Jamieson, J. C. (1963). “Crystal structures adopted in black phosphorous at high pressures,” Science SCIEAS 92, 123. sci, SCIEAS Google Scholar
Le Godec, Y., Martinez-Garcia, D., Mezouar, M., Syfosse, J. P., Itié, J. P., and Besson, J.-M. (2000). “Equation of state and order parameter in graphite-like h-BN under high pressure and temperature,” in Science and Technology of High Pressure (Universities Press, Hyderabad), pp. 925–928.Google Scholar
Larson, A. C. and Von Dreele, A. C. (1994). “General Structure Analysis System (GSAS),” Los Alamos National Laboratory Report LAUR 86-748.Google Scholar
Mezouar, M., Faure, P., Crichton, W., Rambert, N., Sitaud, B., Bauchau, S., and Blattmann, G. (2002). “Multichannel collimator for structural investigation of liquids and amorphous materials at high pressures and temperatures,” Rev. Sci. Instrum. RSINAK 73, 3570–3575. rsi, RSINAK CrossRefGoogle Scholar
Shirley, R. (2000). “The CRYSFIRE System for Automatic Powder Indexing: User’s Manual” (The Lattice Press, 41 Guildford Park Avenue, Guildford, Surrey GU2 7NL, England).Google Scholar
Putz, H., Schön, J. C., and Jansen, M. (1999). “Combined method for ab initio structure solution from powder diffraction data,” J. Appl. Crystallogr. JACGAR 32, 864–870. acr, JACGAR CrossRefGoogle Scholar
Taupin, D. (1973). “A powder-diagram automatic-indexing program,” J. Appl. Crystallogr. JACGAR 6, 380–385. acr, JACGAR CrossRefGoogle Scholar
Thiel, H. (1956). “Zur Kristallstruktur das schwarzen Phosphors,” Ann. Phys. (Leipzig) ANPYA2 17, 122–125 (in German). any, ANPYA2 CrossRefGoogle Scholar
Visser, J. W. (1969). “A fully automatic program for finding the unit cell from powder data,” J. Appl. Crystallogr. JACGAR 2, 89–95. acr, JACGAR CrossRefGoogle Scholar
Werner, P.-E., Eriksson, L., and Westdahl, M. (1985). “TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries,” J. Appl. Crystallogr. JACGAR 18, 367–370. acr, JACGAR CrossRefGoogle Scholar
Wolff, P. M. de (1972). “The definition of the indexing figure of merit M 20,” J. Appl. Crystallogr. JACGAR 5, 243. acr, JACGAR CrossRefGoogle Scholar