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Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f)

Published online by Cambridge University Press:  10 January 2013

Umberto Costa
Affiliation:
C.T.G. S.p.A. Italcementi Group, Via G. Camozzi 124, Bergamo, 1-24121, Italy
Paolo Ballirano*
Affiliation:
C.T.G. S.p.A. Italcementi Group, Via G. Camozzi 124, Bergamo, 1-24121, Italy
*
a)Author to whom all correspondence should be addressed. Present address: Dipartimento di Scienze della Terra, Universita di Roma I “La Sapienza” P. le A. Moro 5, I-00185, Roma, Italy. Electronic mail: ballirano@uniromal.it

Abstract

New powder X-ray diffraction data of Ca12Al14O32F2 (C11A7f), a cementitious compound, were collected on a conventional X-ray powder diffractometer; the cubic cell parameter is a=11.96269(6) Å, volume 1711.93(2) Å3 (space group I-43d (No. 220)). The strongest lines are 4.887(100), 2.676(95), 2.992(46), 2.443(46), 2.185(37), 3.198(32), 1.599(26), and 1.941(25). Reported intensities are validated by Rietveld analysis. The new data consist of measured intensities and cover a wider 2θ angular range with respect to the calculated PDF 25-394 and the indexed PDF 36-678: experimental, calculated, and difference patterns are reported together with crystal-chemical considerations.

Type
New Diffraction Data
Copyright
Copyright © Cambridge University Press 2000

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References

Appleman, D. E., and Evans, H. T., Jr. (1973). “Indexing and least-squares refinement of powder diffraction data,” U.S. Natl. Tech. In. Serv. Doc. PB216188.Google Scholar
Bartl, H. (1969). “Röntgen–Einkristalluntersuchungen an 3CaO·Al 2O 3·6H 2O und an 12CaO·7Al 2O 3·H 2O; neuer Vorschlag zur 12CaO·7Al 2O 3-Struktur,” N. Jb. Miner. Mh. 1969, 404413.Google Scholar
Bartl, H., and Scheller, T. (1970). “Zur Struktur des 12CaO·7Al 2O 3,N. Jb. Miner. Mh. 1970, 547552.Google Scholar
Benoit, P. H. (1987). “Adaptation to microcomputer of the Appleman–Evans program for indexing and least-squares refinement of powder-diffraction data for unit-cell dimensions,” Am. Mineral. 72, 10181019.Google Scholar
Brese, N. E., and O’Keffe, M. (1991). “Bond-valence parameters for solids,” Acta Crystallogr., Sect. B: Struct. Sci. 47, 192197.Google Scholar
Brisi, C., and Rolando, P. (1966). “Sul meccanismo di decomposizione dell’alluminato tricalcico in presenza di fluoruro e cloruro di calcio,” Ann. Chim. (Paris) 56, 224231.Google Scholar
Brisi, C., and Rolando, P. (1967). “Decomposizione dell’alluminato monocalcico in presenza di cloruri ed equilibri allo stato solido nel sistema CaOAl 2O 3CaF 2,Ann. Chim. (Paris) 57, 13041315.Google Scholar
Bunge, H.-J. (1982). Texture Analysis in Materials Science (Butterworth, London).Google Scholar
Büssem, W., and Eitel, A. (1936). “Die Struktur des Pentacalciumaluminats,” Z. Kristallogr. 95, 175188.Google Scholar
Chatterjee, A. K., and Zhmoidin, G. I. (1972a). “Phase equilibrium diagram of the system calcium oxide–aluminum oxide–calcium fluoride,” J. Mater. Sci. 7, 9397.Google Scholar
Chatterjee, A. K., and Zhmoidin, G. I. (1972b). “Phase diagram of the CaO.Al 2O 3Al 2O 3CaF 2 subsystem,” Inorg. Mater. 8, 769.Google Scholar
Costa, U., and Massazza, F. (1971). “Calori di formazione dei cristalli misti formati da 12CaO·7Al 2O 3e11CaO7Al 2O 3·CaF 2,Il Cemento. 1971, 1318.Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder-pattern indexing,” J. Appl. Crystallogr. 1, 108.Google Scholar
Feng, Q. L., Glasser, F. P., Alan-Howie, R., and Lachowski, E. E. (1988). “Chlorosilicate with the 12CaO.7Al 2O 3 structure and its relationship to garnet,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 44, 589592.CrossRefGoogle Scholar
Gutt, W., Chatterjee, A. K., and Zhmoidin, G. I. (1970). “Join calcium monoaluminate–calcium fluoride,” J. Mater. Sci. 5, 960963.Google Scholar
Hosono, H., and Abe, Y. (1987). “Occurrence of superoxide radical ion in crystalline calcium aluminate 12CaO.7Al 2O 3 prepared via solid state reactions,” Inorg. Chem. 26, 1192.Google Scholar
Howard, C. J. (1982). “The approximation of asymmetric neutron powder diffraction peaks by sums of Gaussians,” J. Appl. Crystallogr. 15, 615620.Google Scholar
Jeevaratnam, J., Glasser, F. P., and Dent Glasser, L. S. (1964). “Anion substitution and structure of 12CaO.7Al 2O 3,J. Am. Ceram. Soc. 47, 105106.Google Scholar
Klemm, W. A., Jawed, I., and Holub, H. K. (1979). “Effects of calcium fluoride mineralization on silicates and melt formation in portland cement clinker,” Cem. Concr. Res. 9, 489496.Google Scholar
Larson, A. C., and Von Dreele, R. B. (1985). “GSAS: General Structure Analysis System,” LAUR 86-748, Los Alamos National Laboratory, Copyright, 1985–1994, The Regent of the University of California.Google Scholar
Massazza, F., and Pezzuoli, M. (1969). “Equilibres à l’état solide dans le système quaternaire CaOAl 2O 3SiO 2CaF 2,Rev. Mater. Constr. 642, 7883.Google Scholar
Massazza, F., Pezzuoli, M., and Gilioli, C. (1970). “Equilibres à l’état solide dans le système quaternaire CaOAl 2O 3Fe 2O 3CaF 2,Rev. Mat. Constr. 663, 357363.Google Scholar
Smart, R. M., and Roy, D. M. (1979). “The system CaOAl 2O 3Fe 2O 3 with added fluoride flux,” Cem. Concr. Res. 9, 269274.Google Scholar
Smirnov, G. S., Chatterjee, A. K., and Zhmoidin, G. I. (1973). “Phase equilibrium diagram of the ternary subsystem calcium oxide–calcium aluminate–calcium aluminate fluoride,” J. Mater. Sci. 8, 12781282.Google Scholar
Smith, G. S., and Snyder, R. L. (1979). “FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 12, 60.CrossRefGoogle Scholar
Von Dreele, R. B. (1997). “Quantitative texture analysis by Rietveld refinement,” J. Appl. Crystallogr. 30, 517525.Google Scholar
Williams, P. P. (1968). “Crystal structure of a fluoride derivative of 12CaO.7Al 2O 3,J. Am. Ceram. Soc. 51, 531.Google Scholar
Williams, P. P. (1973). “Refinement of the structure of 11CaO.7Al 2O 3.CaF 2,Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 29, 15501551.Google Scholar
Wilson, A. J. C. (1963). Mathematical theory of X-ray powder diffractometry (Philips Technical Library, Eindhoven), 128 pp.Google Scholar
Young, R. A. (ed.) (1993). The Rietveld method (Oxford Science, New York), 298 pp.Google Scholar
Zhmoidin, G. I., and Chatterjee, A. K. (1974). “Equilibrium phase diagram of the calcium oxide–calcium oxide aluminum oxide–calcium fluoride (CaOCaO.Al 2O 3CaF 2) subsystem,” Inorg. Mater. 10, 1584.Google Scholar