The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3)

American Mineralogist

Volumn 92, Issue 7, 2007, Pages 1018-1025

  Allan, David R ^a,c   Marshall, W G ^b   Pulham, C R ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c DIAMOND LIGHT SOURCE LTD   (United Kingdom)

Author keywords

Crystal structure; High pressure; Kalicinite; Phase transition

Indexed keywords

EQUATIONS OF STATE; HYDROGEN BONDS; PHASE TRANSITIONS; SINGLE CRYSTALS;

DIRECT COMPRESSION; FIRST-ORDER PHASE TRANSITIONS; HIGH PRESSURE; HIGH-PRESSURE PHASE; HYDROGEN CARBONATES; KALICINITE; PRESSURE DEPENDENCE; SINGLE CRYSTAL X-RAY DIFFRACTION;

CRYSTAL STRUCTURE;

CARBONATE; CRYSTAL STRUCTURE; EQUATION OF STATE; HIGH PRESSURE; HYDROGEN; PHASE TRANSITION; POTASSIUM; X-RAY DIFFRACTION;

EID: 34547481847     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2007.2336     Document Type: Article

References (33)

1. Altomare, A., Gascarano, C., Giacovazzo, C., Gualardi, A., Burla, M.C., Polidori, G., and Carnalli, M. (1994) SIR92 - a program for automatic solution of crystal structures by direct methods. Journal of Applied Crystallography, 27, 435.
2. Besson, J.M., Nelmes, R.J., Hamel, G., Loveday, J.S., Weill, G., and Hull, S. (1992) Neutron powder diffraction above 10 GPa. Physics B, 180, 907-910.
3. Betteridge, P.W., Carruthers, J.R., Cooper, R.I., Prout K., and Watkin, D.J. (2003) CRYSTALS, Version 12: Software for guided crystal structure analysis. Journal of Applied Crystallography, 36, 1487.
4. Bruker-AXS (2003) SAINT, Version 7. Bruker-AXS, Madison, Wisconsin.
5. Dawson, A., Allan, D.R., Parsons, S., and Ruf, M. (2004) The use of CCD detectors in crystal structure determinations at high pressure. Journal of Applied Crystallography, 37, 410-416.
6. Fillaux, F. and Cousson, A. (2004) Comment on "Quantum correlations between protons in potassium bicarbonate." Journal of Physics: Condensed Matter, 16, 1007-1010.
7. 3 crystal. Physical Review B, 67, 054301.
8. Forman, R.A., Piermarini, G.J., Barnett, J.D., and Block, S. (1972) Pressure measurement made by the utilization of ruby sharp-line luminescence. Science, 176, 284-285
9. Fortes, A.D. (2004) Computational and Experimental Studies of Solids in the Ammonia-Water System. Ph.D. thesis, University College, University of London.
10. Herbstein, F.H. (2006) On the mechanism of some first-order enantiotropic solidstate phase transitions: from Simon through Ubbelohde to Mnyukh. Acta Crystallographica, 62, 341-383.
11. ISIS (1996) Dedicated facility for high pressure diffraction. In ISIS 96 - ISIS Facility Annual Report 1995-96, Rutherford Appleton Laboratory: 1996; Vol. RAL-TR-96-050, p. 61-62.
12. ISIS (1997) PEARL - Pressure and engineering research line. In ISIS 97 - ISIS Facility Annual Report 1996-97, Rutherford Appleton Laboratory: 1997; Vol. RAL-TR-97-050, p. 28-29.
13. Kaduk, J.A. (1993) Crystal structure of caesium hydrogen carbonate, Zeitschrift fuer Kristallographie 205, 319-320.
14. 3) at 2.8 GPa and local structural changes around the hydrogen atoms. American Mineralogist, 88, 1446-1451.
15. Kagi, H., Nagai, T., Komatsu K., Okada, T., Wada, C., Loveday, J,S., and Parise, J.B. (2005) Pressure response on hydrogen bonds in potassium hydrogen carbonate and sodium hydrogen carbonate. Journal of Neutron Research, 13, 21-26.
16. 3. Journal of Solid State Chemistry, 86, 180-187.
17. Katrusiak, A. (1996) Stereochemistry and transformations of-OH-O= hydrogen bonds. Part II. Evolution of Tc in hydrogen-bonded ferroelectrics from structural data. Journal of Molecular Structure, 374, 177-189.
18. Keen, D.A. and Lovesey, S.W. (2003) Quantum correlations between protons in potassium bicarbonate. Journal of Physics: Condensed Matter, 15, 4937-4946.
19. Komatsu, K., Kagi, H., Nagai, T., Kuribayashi, T., Parise, J.B., and Kudoh., Y. (2005) Single crystal X-ray structure analysis of high pressure phase of Kalicinite, abstract k038-008, Earth and Planetary Science Joint Meeting, Japan.
20. Kuznetsov, A.Z., Dmitriev, V., Dubrovinsky, L., Prakapenka, V., and Weber, H.- P. (2002) FCC-HCP phase boundary in lead. Solid State Communications, 122, 125-127.
21. Larson, A.C. and Von Dreele, R.B. (2000) General Structure Analysis System (GSAS). Los Alamos National Laboratory Report LAUR 86-748.
22. Marshall, W.G. and Francis, D.J. (2002) Attainment of near-hydrostatic compression conditions using the Paris-Edinburgh cell. Journal of Applied Crystallography, 35, 122-125.
23. Merrill, L. and Bassett, W.A. (1974) Miniature diamond-anvil pressure cell for single-crystal X-ray diffraction studies. Review of Scientific Instruments, 45, 290-294.
24. Miller, R.A. and Schuele, D.E. (1969) The pressure derivatives of the elastic constants of lead. Journal of Physics and Chemistry of Solids, 30, 589-600.
25. 3) at room temperature. Solid State Communications, 123, 371-374.
26. Nelmes, R.J., Loveday, J.S., Wilson, R.M., Besson, J.M., Klotz, S., Hamel, G., and Hull, S. (1994) Structure Studies at High Pressure Using Neutron Powder Diffraction. In J.D. Jorgensen and A.J. Schultz, Eds., Proceedings of the Symposium on Time-of-Flight Diffraction at Pulsed Neutron Sources, 29, p. 19-27. American Crystallographic Association, Buffalo, New York.
27. 3. Acta Crystallographica, 5, 292.
28. Parsons, S. (2004) SHADE. The University of Edinburgh, Scotland.
29. Sheldrick, G.M. (2004) SADABS. Bruker-AXS, Madison, Wisconsin.
30. 3 studied by Brillouin scattering. Physical Review B, 56, 10715-10718.
31. 3 studied by Brillouin scattering. Physical Review B, 65, 174102.
32. 3 at 298, 219 and 95 K. Acta Crystallographica B, 30, 1155-1166.
33. Waldorf, D.L. and Alers, G.A. (1962) Low-temperature elastic moduli of lead. Journal of Applied Physics, 33, 3266-3269.