Hostname: page-component-5c6d5d7d68-wbk2r Total loading time: 0 Render date: 2024-08-18T05:48:50.995Z Has data issue: false hasContentIssue false
  • English
  • Français

Crystal structure of NaAlF4, a new aristotype

Published online by Cambridge University Press:  29 February 2012

A. Le Bail
A. Le Bail*
Affiliation:
Laboratoire des Oxydes et Fluorures, Université du Maine, UMR CNRS 6010, Avenue O. Messiaen, 72085 Le Mans, France
*
a)Electronic mail: armel.le_bail@univ-lemans.fr
Get access Rights & Permissions [Opens in a new window]

Abstract

A model for the long awaited crystal structure of metastable NaAlF4 is established from the powder diffraction pattern of a partly disproportionated sample. Orthorhombic, Cmcm, a=3.6121(3), b=14.952(1), c=5.2692(4) Å, Z=4, V=284.58(4) Å3. Sodium atoms are in NaF6 trigonal prisms interconnected by edges in compact layers. AlF6 octahedra are both cis- and trans-corner connected forming a layer structure similar to that observed in the NaNbO2F2 (P21/c) and BaZnF4 (Cmc21) structure types. NaAlF4 is ideally simple and symmetrical, isostructural with BiReO4 (Cmcm), representing the aristotype of the NaMIIIF4 and BaMIIF4 series.

Keywords

sodium aluminum tetrafluoridepowder diffractioncrystal structure
Type
Technical Articles
Information
Powder Diffraction , Volume 24 , Issue 4 , December 2009 , pp. 301 - 305
Copyright
Copyright © Cambridge University Press 2009

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

Andersson, S. and Galy, J. (1969). “Crystal structure of NaNbO2F2,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem.ACBCAR 25, 847–850.10.1107/S056774086900313XCrossRefGoogle Scholar
Babel, D. and Tressaud, A. (1985). “Crystal chemistry of fluorides,” in Inorganic Solid Fluorides, edited by Hagenmuller, P. (Academic Press, Orlando, FL), Chap. 3, pp. 77–203.CrossRefGoogle Scholar
Bruno, M., Herstad, O., and Holm, J. L. (1998). “Stability and structure of sodium tetrafluoroaluminate, NaAlF4,” Acta Chem. Scand.ACHSE7 52, 1399–1401.10.3891/acta.chem.scand.52-1399CrossRefGoogle Scholar
Bruno, M., Herstad, O., and Holm, J. L. (1999). “Calorimetric investigations of some phases in the system sodium fluoride—aluminium fluoride,” J. Therm Anal. Calorim.JTACF7 56, 51–57.10.1023/A:1010175006354CrossRefGoogle Scholar
Daniel, P., Bulou, A., Rousseau, M., Nouet, J., Fourquet, J. L., Leblanc, M., and Burriel, R. (1990). “A study of the structural phase transitions in AlF3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum,” J. Phys.: Condens. MatterJCOMEL 2, 5663–5677.10.1088/0953-8984/2/26/003Google Scholar
de Wolf, P. M. (1968). “A simplified criterion for the reliability of a powder pattern indexing,” J. Appl. Crystallogr.JACGAR 1, 108–113.10.1107/S002188986800508XCrossRefGoogle Scholar
Garton, G. and Wanklyn, B. M. (1965). “Some observations on tetrafluoroaluminates of lithium and sodium,” J. Inorg. Nucl. Chem.JINCAO 27, 2461–2465.10.1016/0022-1902(65)80144-0CrossRefGoogle Scholar
Howard, E. H. (1954). “Some physical and chemical properties of a new sodium aluminum fluoride,” J. Am. Chem. Soc.JACSAT 76, 2041–2042.10.1021/ja01637a003CrossRefGoogle Scholar
Jacoboni, C., Leblé, A., and Rousseau, J. J. (1981). “Détermination précise de la structure de la chiolite Na5Al3F14 et étude par R.P.E. de Na5Al3F14:Cr3+,” J. Solid State Chem.JSSCBI 36, 297–304.10.1016/0022-4596(81)90440-0CrossRefGoogle Scholar
Kemnitz, E., Groß, U., Rüdiger, St., Scholz, G., Heidemann, D., Troyanov, S. I., Morosov, I. V., and Lemée-Cailleau, M. -H. (2006). “Comparative structural investigation of aluminium fluoride solvates,” Solid State Sci.SSSCFJ 8, 1443–1452.10.1016/j.solidstatesciences.2006.07.008CrossRefGoogle Scholar
Le Bail, A. (2004). “Monte Carlo indexing with MCMAILLE,” Powder Diffr.PODIE2 19, 249–254.10.1154/1.1763152CrossRefGoogle Scholar
Le Bail, A. (2005). “Whole powder pattern decomposition methods and applications—retrospection,” Powder Diffr.PODIE2 20, 316–326.10.1154/1.2135315CrossRefGoogle Scholar
Le Bail, A. (2008a). “Structure solution,” in Principles and Applications of Powder Diffraction, edited by Clearfield, A., Reibenspies, J., and Bhuvanesh, N. (Wiley, New York), Chap. 7, pp. 261–309.Google Scholar
Le Bail, A. (2008b). “Frontiers between crystal structure prediction and determination by powder diffractometry,” Powder Diffr.PODIE2 23, S5–12.10.1154/1.2903488CrossRefGoogle Scholar
Le Bail, A. (2009). “Ab initio structure determination of nano-sized θ-KAlF4 with edge-sharing AlF6 octahedra,” Powder Diffr.PODIE2 24, 185–190.10.1154/1.3194692CrossRefGoogle Scholar
Le Bail, A. and Calvayrac, F. (2006). “Hypothetical AlF3 crystal structures,” J. Solid State Chem.JSSCBI 179, 3159–3166.10.1016/j.jssc.2006.06.010CrossRefGoogle Scholar
Mashovets, V. P., Beletskii, M. S., Saksonov, Y. G., and Swoboda, R. V. (1957). “A new compound in the NaF–AlF3 system,” Dokl. Akad. Nauk SSSRDANKAS 113, 1290–1292.Google Scholar
Massa, W. and Babel, D. (1988). “Crystal structure and bonding in transition-metal fluoro compounds,” Chem. Rev. (Washington, D.C.)CHREAY 88, 275–296.10.1021/cr00083a013CrossRefGoogle Scholar
Peschel, B. and Babel, D. (1997). “Die kristallstrukturen der vanadium-weberite Na2M IIVIIIF7 (M II=Mn, Ni, Cu) und von NaVF4,” Z. Anorg. Allg. Chem.ZAACAB 623, 1614–1620.10.1002/zaac.19976231022CrossRefGoogle Scholar
Rae Smith, A. R. and Cheetham, A. K. (1979). “The preparation and crystal structures of BiReO4 and BiRe2O6,” J. Solid State Chem.JSSCBI 30, 345–352.10.1016/0022-4596(79)90246-9CrossRefGoogle Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr.JACGAR 2, 65–71.10.1107/S0021889869006558CrossRefGoogle Scholar
Rodriguez-Carvajal, J. (1993). “Recent advances in magnetic-structure determination by neutron powder diffraction,” Physica BPHYBE3 192, 55–69.10.1016/0921-4526(93)90108-ICrossRefGoogle Scholar
Smith, G. S. and Snyder, R. L. (1979). “F N: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr.JACGAR 12, 60–65.10.1107/S002188987901178XCrossRefGoogle Scholar
Spek, A. L. (2003). “Single-crystal structure validation with the program PLATON,” J. Appl. Crystallogr.JACGAR 36, 7–13.10.1107/S0021889802022112CrossRefGoogle Scholar
von Schnering, H. V. and Bleckmann, P. (1968). “Ternary fluoride ABF4 of a new structural type,” Naturwiss.NATWAY 55, 342–343.10.1007/BF00600459Google Scholar
Zhou, Q. and Kennedy, B. J. (2004). “High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6,” J. Solid State Chem.JSSCBI 177, 654–659.10.1016/j.jssc.2003.08.012CrossRefGoogle Scholar