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Refinement of hydrogen positions in natural chondrodite by powder neutron diffraction: implications for the stability of humite minerals

Published online by Cambridge University Press:  05 July 2018

A. J. Berry  and
M. James
A. J. Berry*
Affiliation:
Research School of Earth Sciences, Australian National University, Canberra, ACT 0200, Australia
M. James
Affiliation:
Neutron Scattering Group, Building 58, Australian Nuclear Science and Technology Organisation, PMB 1, Menai NSW 2234, Australia
*
*E-mail: Andrew.Berry@anu.edu.au
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Abstract

The structure of a natural sample of chondrodite (Mg4.89Fe0.07Si2.04O8F1.54(OH)0.46) was refined using powder neutron diffraction data and the Rietveld technique (P21/b; Z = 2; a = 4.7204(1)Å; b = 10.2360(3)Å; c = 7.8252(2)Å; α = 109.11(1)°; V = 357.26(2)Å3). Hydrogen was found to occupy the H1 site. The significance of hydrogen at this site is discussed in terms of hydrogen-bond stabilization of humite structures containing varying amounts of OH, F and Ti. Arguments are proposed as to why the F and Ti contents of natural humites usually result in only one H per formula unit when there is no crystal-chemical reason why fully hydrated samples should not be favoured.

Keywords

powder neutron diffractionchondroditeRietveld refinementhumite minerals
Type
Research Article
Information
Mineralogical Magazine , Volume 66 , Issue 3 , June 2002 , pp. 441 - 449
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2002

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References

Abbott, R.N., Burnham, C.W. and Post, J.E. (1989) Hydrogen in humite-group minerals: Structureenergy calculations. American Mineralogist, 74, 1300–1306.Google Scholar
Aoki, K., Fujino, K. and Akaogi, M. (1976) Titanochondrodite and titanoclinohumite derived from the upper mantle in the Buell Park kimberlite, Arizona, USA. Contributions to Mineralogy and Petrology, 56, 243–253.CrossRefGoogle Scholar
Berry, A.J. and James, M. (2001) Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction. American Mineralogist, 86, 181–184.CrossRefGoogle Scholar
Burnley, P.C. and Navrotsky, A. (1996) Synthesis of high- pressure hydrous magnesium silicates: Observations and analysis. American Mineralogist, 81, 317–326.CrossRefGoogle Scholar
Cámara, F. (1997) New data on the structure of norbergite: location of hydrogen by X-ray diffraction. The Canadian Mineralogist, 35, 1523–1530.Google Scholar
Dymek, R.F., Boak, J.L. and Brothers, S.C. (1988) Titanian chondrodite- and titanian clinohumitebearing metadunite from the 3800 Ma Isua supracrustal belt, west Greenland: chemistry, petrology and origin. American Mineralogist, 73, 647–558.Google Scholar
Engi, M. and Lindsley, D.H. (1980) Stability of titanium clinohumite: Experiments and thermodynamic analysis. Contributions to Mineralogy and Petrology, 72, 415–424.CrossRefGoogle Scholar
Evans, B.W. and Trommsdorff, V. (1983) Fluorine hydroxyl titanian clinohumite in alpine recrystallized garnet peridotite: compositional controls and petrologic significance. American Journal of Science, 283, 355–369.Google Scholar
Ferraris, G., Prencipe, M., Sokolova, E.V., Gekimyants, V.M. and Spiridonov, E.M. (2000) Hydroxylclinohumite, a new member of the humite group: twinning, crystal structure and crystal chemistry of the clinohumite subgroup. Zeitschrift für Kristallographie, 215, 169–173.Google Scholar
Friedrich, A., Lager, G.A., Kunz, K., Chakoumakos, B.C., Smyth, J.R. and Schultz, A.J. (2001) Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumites. American Mineralogist, 86, 981–989.CrossRefGoogle Scholar
Fujino, K. and Takéuchi, Y. (1978) Crystal chemistry of titanian chondrodite and titanian clinohumite of high-pressure origin. American Mineralogist, 63, 535–543.Google Scholar
Gaspar, J. (1992) Titanian clinohumite in the carbonatites of the Jacupiranga Complex, Brazil: mineral chemistry and comparison with titanian clinohumite from other environments. American Mineralogist, 77, 168–178.Google Scholar
Gibbs, G.V., Ribbe, P.H. and Anderson, C.P. (1970) The crystal structures of the humite minerals. II. Chondrodite. American Mineralogist, 55, 1182–1194.Google Scholar
Howard, C.J. and Hunter, B.A. (1997) A computer program for Rietveld analysis of X-ray and neutron powder diffraction patterns. Australian Nuclear Science and Technology Organisation, Menai.Google Scholar
Jones, N.W., Ribbe, P.H. and Gibbs, G.V. (1969) Crystal chemistry of the humite minerals. American Mineralogist, 54, 391–411.Google Scholar
Kitamura, M., Kondoh, S., Morimoto, N., Miller, G.H., Rossman, G.R. and Putnis, A. (1987) Planar OH bearing defects in mantle olivine. Nature, 328, 143–145.CrossRefGoogle Scholar
Lager, G.A., Ulmer, P., Miletich, R. and Marshall, W.G. (2001) OD…O bond geometry in OD-chondrodite. American Mineralogist, 86, 176–180.CrossRefGoogle Scholar
Lin, C.C., Liu, L.G. and Irifune, T. (1999) High-pressure Raman spectroscopic study of chondrodite. Physics and Chemistry of Minerals, 26, 226–233.CrossRefGoogle Scholar
Lin, C.C., Liu, L.G., Mernagh, T.P. and Irifune, T. (2000) Raman spectroscopic study of hydroxylclinohumite at various pressures and temperatures. Physics and Chemistry of Minerals, 27, 320–331.CrossRefGoogle Scholar
McGetchin, T.R., Silver, L.T. and Chodos, A.A. (1970) Titanoclinohumite: A possible mineralogical site for water in the upper mantle. Journal of Geophysical Research, 75, 255–259.CrossRefGoogle Scholar
Pawley, A. (2000) Stability of clinohumite in the system MgO-SiO2-H2O. Contributions to Mineralogy and Petrology, 138, 284–291.CrossRefGoogle Scholar
Rietveld, H.M. (1969) A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2, 65–71.CrossRefGoogle Scholar
Ribbe, P.H. (1979) Titanium, fluorine and hydroxyl in the humite minerals. American Mineralogist, 64, 1027–1035.Google Scholar
Ribbe, P.H., Gibbs, G.V. and Jones, N.W. (1968) Cation and anion substitutions in the humite minerals. Mineralogical Magazine, 37, 966–975.CrossRefGoogle Scholar
Rice, J.M. (1980 a) Phase equilibria involving humite minerals in impure dolomitic limestones. Part I. Calculated stability of clinohumite. Contributions to Mineralogy and Petrology, 71, 219–235.CrossRefGoogle Scholar
Rice, J.M. (1980 b) Phase equilibria involving humite minerals in impure dolomitic limestones. Part II. Calculated stability of chondrodite and norbergite. Contributions to Mineralogy and Petrology, 75, 205–223.CrossRefGoogle Scholar
Satish-Kumar, M. and Niimi, N. (1998) Fluorine-rich clinohumite from Ambasamudram marbles, southern India: mineralogical and preliminary FTIR spectroscopic characterization. Mineralogical Magazine, 62, 509–519.CrossRefGoogle Scholar
Trommsdorff, V. and Evans, B.W. (1980) Titanian hydroxyl-clinohumite: Formation and breakdown in antigorite rocks (Malenco, Italy). Contributions to Mineralogy and Petrology, 72, 229–242.CrossRefGoogle Scholar
Ulmer, P. and Trommsdorff, V. (1999) Phase relations of hydrous mantle subducting to 300 km. Pp. 259–281 in: Mantle Petrology: Field Observations and High Pressure Experimentation (Fei, Y., Bertka, C.M. and Mysen, B.O., editors). Geochemical Society, Washington, D.C.Google Scholar
Weiss, M. (1997) Clinohumites: a field and experimental study. PhD thesis No. 12202, Swiss Federal Institute of Technology, Zurich.Google Scholar
Williams, Q. (1992) A vibrational spectroscopic study of hydrogen in high pressure mineral assemblages. Pp. 289–296 in: High-pressure Research: Application to Earth and Planetary Sciences (Syono, Y. and Manghnani, M.H., editors). Terra Publishing Company, Tokyo, Japan.Google Scholar
Wunder, B. (1998) Equilibrium experiments in the system MgO-SiO2-H2O (MSH): stability fields of clinohumite-OH [Mg9Si4O16(OH)2], chondrodite- OH [Mg5Si2O8(OH)2] and phase A (Mg7Si2O8(OH)6). Contributions to Mineralogy and Petrology, 132, 111–120.CrossRefGoogle Scholar
Wunder, B., Medenbach, O., Daniels, P. and Schreyer, W. (1995) First synthesis of the hydroxyl endmember of humite, Mg7Si3O12(OH)2 . American Mineralogist, 80, 638–640.Google Scholar
Yamamoto, K. (1977) The crystal structure of hydroxylchondrodite. Acta Crystal lograph ica, B33, 1481–1485.CrossRefGoogle Scholar
Yamamoto, K. and Akimoto, S.I. (1977) The system MgO-SiO2-H2O at high pressures and temperatures stability field for hydroxyl-chondrodite, hydroxylclinohumite and 10 Å-phase. American Journal of Science, 277, 288–312.CrossRefGoogle Scholar