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Ba–Cu ordering in bariopharmacoalumite-Q2a2b2c from Cap Garonne, France

  • I. E. Grey (a1), W. G. Mumme (a1), J. R. Price (a2), S. J. Mills (a3), C. M. Macrae (a1) and G. Favreau (a4)...

Abstract

Bariopharmacoalumite-Q2a2b2c, Ba0.5(Cu,ZnO)0.1H0.6[Al4(OH)4(As0.9Al0.1O4)3]·5.5H2O, from the south mine of the old copper mine at Cap Garonne, France, has a 2 × 2 × 2 I-centred tetragonal superstructure of the basic pharmacosiderite-type structure. Cell parameters are a = 15.405(2) Å and c = 15.553(3) Å. The structure was determined and refined in I 2m to R 1= 0.057 for 2697 reflections with I > 2σ(I), using synchrotron X-ray data on a twinned crystal. The origin of the superlattice cell doubling was determined to be due predominantly to the ordering of Ba atoms in half of the [0 0 1] channels, centred at (0, 0, 0) and (½, ½, 0). The other channels, centred at (½, 0, 0) and (0, ½, 0), were found to be occupied by corner-connected chains of Cu/Zn-centred square planar units.

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* E-mail: ian.grey@csiro.au

References

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Baur, W.H. and Fischer, R.X. (2013) Gaps in cubic closest packing: from MgO via spinel to the pharmacosiderite crystal structure type. Mineralogy and Petrology, 107, 153162.
Behrens, E.A. and Clearfield, A. (1997) Titanium silicates M 3HTi4O4(SiO4)3·4H2O (M = Na+, K+), with threedimensional tunnel structures for the selective removal of strontium and cesium from wastewater solutions. Microporous Materials, 11, 6575.
Bialek, R. and Gramlich, V. (1992) The superstructure of K3HGe7O16·4H2O. Zeitschrift für Kristallographie, 198, 6777.
Brese, N.E. and O’Keeffe, M. (1991) Bond-valence parameters for solids. Acta Crystallographica, B47, 192197.
Brock, S.L. and Kauzlarich, S.M. (1994) A2Zn3As2O2 (A = Ba, Sr): a rare example of square planar zinc. Inorganic Chemistry, 33, 24912492.
Bruker, (2001) SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Buerger, M.J., Dollase, W.A. and Garaycochea-Wittke, I. (1967) The structure and composition of the mineral pharmacosiderite. Zeitschrift für Kristallographie, 125, 92108.
Cooper, R.I., Gould, R.O., Parsons, S. and Watkin, D.J. (2002) The derivation of non-merohedral twin laws during replacement by analysis of poorly fitting intensity data and the refinement of non-merohedrally twinned crystal structures in the program CRYSTALS. Journal of Applied Crystallography, 35, 168174.
Dadachov, M.S. and Harrison, W.T. (1997) Synthesis and crystal structure of Na4[(TiO)4(SiO4)3]·6H2O, a rhombohedrally distorted sodium titanium silicate pharmacosiderite analogue. Journal of Solid State Chemistry, 134, 409415.
David, W.I.F., Harrison, W.T.A., Gunn, J.M.F., Moze, O., Soper, A.K., Day, P., Jorgensen, J.D., Hinks, D.G., Beno, M.A., Soderholm, L., Capone, D.W., Schuller, I.K., Segre, C.U., Zhang, K. and Grace, J.D. (1987) Structure and crystal chemistry of the high-Tc superconductor YBa2Cu3O7–x . Nature, 327, 310312.
Farrugia, L.J. (1999) WinGX suite for small-molecule single-crystal crystallography. Journal of Applied Crystallography, 32, 837838.
Feng, S. and Greenblatt, M. (1992) Preparation, characterization and ionic conductivity of novel crystalline, microporous germanates, M3HGe7O16 ·xH2O, M = NH4 +, Li+ , K+, Rb+, Cs+ ; x = 4–6. Chemistry of Materials, 4, 462468.
Guinier, A., Bokij, G.B., Boll-Dornberger, K., Cowley, J.M., Durovic, S., Jagodzinski, H., Krishna, P., De Wolff, P.M., Zvyagin, B.B., Cox, D.E., Goodman, P., Hahn, Th., Kuchitsu, K. and Abrahams, S.C. (1984) Nomenclature of polytype structures: Report of the International Union of Crystallography Ad- Hoc Committee on the nomenclature of disordered, modulated and polytype structures. Acta Crystallographica, A40, 399404.
Hager, S.L., Leverett, P., Williams, P.A., Mills, S.J., Hibbs, D.E., Raudsepp, M., Kampf, A.R. and Birch, W.D. (2010) The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite. The Canadian Mineralogist, 48, 14771485.
Hausmann, J.F.L. (1813) Pharmakosiderit. Pp. 1065–1067 in: Handbuch der Mineralogie, Vol. 3. Göttingen, Germany.
Hestermann, K. and Hoppe, R. (1969) Die Kristallstruktur von KCuO2, RbCuO2 und CsCuO2 . Zeitschrift für Anorganische und Allgemeine Chemie, 367, 249255.
Kabsch, W. (2010) XDS. Acta Crystallographica, D66, 125132.
Mills, S.J., Hager, S.L., Leverett, P., Williams, P.A. and Raudsep, M. (2010a) The structure of H3O+- exchanged pharmacosiderite. Mineralogical Magazine, 74, 487492.
Mills, S.J., Kampf, A.R., Williams, P.A., Leverett, P., Poirier, G., Raudsepp, M. and Francis, C.A. (2010b) Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description. Mineralogical Magazine, 74, 863869.
Mills, S.J., Rumsey, M.S., Favreau, G., Raudsepp, M. and Dini, M. (2011) Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile. Mineralogical Magazine, 75, 135144.
Mills, S.J., Kampf, A.R., McDonald, A.M., Favreau, G. and Chiappero, P.-J. (2012) Forětite, a new secondary arsenate mineral from the Cap Garonne mine, France. Mineralogical Magazine, 76, 769775.
Mutter, G., Eysel, W., Greis, O. and Schmetzer, K. (1984) Crystal chemistry and ion-exchanged pharmacosiderites. Neues Jahrbuch für Mineralogie, Monatshafte, 1984, 183192.
Nenoff, T.M., Harrison, W.T.A. and Stucky, G.D. (1994) Na3Hx(H2PO4)x[(GeO)4(GeO4)3]·4H2O: a rhombohedrally-distorted germanium pharmacosiderite analog with anion/cation exchange capabilities. Chemistry of Materials, 6, 525530.
Roberts, M.A. and Fitch, A.N. (1991) The crystal structures of Ag4Ge7O16·6D2O and Na3(ND4)Ge7O16·6D2O refined from high resolution synchrotron radiation and neutron powder diffraction data. Journal of Physics and Chemistry of Solids, 52, 12091218.
Rumsey, M.S., Mills, S.J. and Spratt, J. (2010) Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]·4H2O, a new mineral of the pharmacosiderite supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite. Mineralogical Magazine, 74, 929936.
Sarp, H. and Chiappero, P.-J. (1992) Deloryite, Cu4(UO2)(MoO4)2(OH)6, a new mineral from Cap Garonne mine near Le Pradet, Var, France. Neues Jahrbuch für Mineralogie, Monatshefte, 1992, 5864.
Sarp, H., Chiappero, P.-J. and Favreau, G. (1994) Baryum-zinc alumopharmacosiderite de la mine de Cap Garonne (Var, France). Archives des Sciences de Geneve, 47, 4550.
Sheldrick, G.M. (2008) A short history of SHELX. Acta Crystallographica, A64, 112122.
Shin, J., Bhange, D.S., Camblor, M.A. and Hong, S.B. (2011) Synthesis and structural characterization of aluminogermanate pharmacosiderites with different crystal symmetries. Microporous and Mesoporous Materials, 139, 148157.
Tripathi, A., Medvedev, D.G., Delgado, J. and Clearfield, A. (2004) Optimising Cs-exchange in titanosilicate with the mineral pharmacosiderite topology; framework substitution of Nb and Ge. Journal of Solid State Chemistry, 177, 29032915.
Yakovenchuk, V.N., Nikolaev, A.P., Selivanova, E.A., Pakhomovsky, Y.A., Korchak, J.A., Spiridonova, D.V., Zalkind, O.A. and Krivovichev, S.V. (2009) Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu: New microporous titanosilicates from the Khibiny massif (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T. American Mineralogist, 94, 14501458.
Zemann, J. (1948) Formel und Struktur des pharmakosiderites. Tschermaks Mineralogische und Petrographische Mitteilungen, Third Series, 1, 113.

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Ba–Cu ordering in bariopharmacoalumite-Q2a2b2c from Cap Garonne, France

  • I. E. Grey (a1), W. G. Mumme (a1), J. R. Price (a2), S. J. Mills (a3), C. M. Macrae (a1) and G. Favreau (a4)...

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