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Amorphization under Pressure

Structural Transitions in CuO₂ at Pressures up to 11 GPa, J. Phys. Condens. Matter 15 (2003) 7227-7235 ( D. Machon, V.V. Sinitsyn, V.P.Dmitriev, I.K. Bdikin, L. S. Dubrowinsky, I.V. Kuleshov, E.G. Ponyatovsky, H.P.Weber)

In-situ Pressure-Induced Solid-State Amorphization in Sm₂(MoO₄)₃, Eu₂(MoO₄)₃ and Gd₂(MoO₄)₃ Crystals: Chemical Decomposition Scenario J. Phys. Chem. Solids, 64 (2003) 307-312 (V. Dmitriev, V. Sinitsyn, R. Dilanian, D. Machon, A. Kuznetsov, E. Ponyatovsky, G. Lucazeau and H.P. Weber)

Pseudoamorphization of Cs₂HgBr₄, Phys. Rev. B68 (2003 144104-144107 (D. Machon, V.Dmitriev, P. Bouvier, P.N. Timonin, V.B. Shirokov, H.P. Weber),

Amorphization of cuprite, CuO2, due to chemical decomposition under high pressure, JEPT Letters 80 (2004) 831-834, (V.V. Sinitsyn, V.P. Dmitriev, I.K. Bdikin,D. Machon, L. S. Dubrowinsky, E.G. Ponyatovsky, H.P. Weber)

Decomposition of LiGdF4 Scheelite at High Pressures, J. Phys. Condens. Matter 16 (2004) 7779-7786 (A. Grzechnik, W.A. Crichton, P. Bouvier, V. Dmitriev, H.P. Weber, J-Y Gesland)

Raman spectroscopy of Cs₂HgBr₄ at high pressure: Effect of hydrostaticity, J. Phys. Cond. Matter 18 (2006) 3443-3453 (D. Machon, P. Tolédano, P. Bouvier and H.P. Weber)

Crystal Engineering

High-pressure Polymorphism in Deuterated Urea, Acta Cryst. A58 (2002) Suppl. C174 (H.P. Weber, W.G. Marshall and V. Dmitriev)

A Comparative Study of the Anisotropy of Pressure-Induced Lattice Strain of a- and g-polymorphs of glycine, Z. Krist. 218 (2003) 1-6 ( E.V. Boldyreva, H. Ahsbahs and H.P. Weber)

Изосимметрический обратимый фазовый переход в оксалате натрия при 3,8 ГПаС.В. Горяйнов, Proc. Rus. Acad. Sci (2003) Е.В. Болдырева, Г. Ахсбахс (H. Ahsbahs), В.В. Чернышев, Х.-П. Вебер (H.-P. Weber)

Isometric Reversible Pressure-Induced (P=3.8 GPa) Phase Transition in Sodium Oxalate Dokl. Phys. Chem 390 (2003) 154-157 ( Goryainov SV, Boldyreva EV, Smirnov MB, Ahsbahs H, Chernyshev VV and H.P. Weber)

Effect of high-pressure on crystalline glycine: A new high-pressure polymorph, Doklady Phys. Chem 396 (2004), 111-114 ( Ivashevskaya, S.N., Boldyreva, H. Ahsbahs, Sowa, H.and H.P. Weber)

Polymorphism in Aliphatic Dicarboxylic Acids: The Crystal Structures of b- and g- Malonic Acid. Acta Cryst. B 64 (2008) 230-239 ( R.K. McMullan, W.T. Klooster, H-P Weber)

Structure of Elements under Extreme Conditions

Theory of the Martensitic Transformation in Cobalt, Phys. Rev. B64 (2001) 144104-144121 ( P.    Toledano, G. Krexner, M. Prem, V.P. Dmitrievand H.P. Weber)

FCC-HCP Boundary in Lead, Solid State Comm. 122 (2002) 125-127, ( V. P. Dmitriev, A. Yu. Kuznetsov, V. Prakapenka & L.S. Dubrovinskyand H.P. Weber)

Phase Transition Mechanisms in Lanthanide Elemental Crystals, Europhysics Letters (2003) 783-789 ( V. Dmitriev, A. Kuznetsov, D. Machon & P. Toledano and H.P. Weber)

High-Pressure FCC Phase of Pr: Negative Thermal Expansion and Intermediate Valence State, Phys. Rev B68 (2003) 64109-641116, ( V. P. Dmitriev, A. Yu. Kuznetsov, & O. Bandilet and H.P. Weber)

Stability of the High-Pressure Monoclinic Phases in Ce and Pr Metals: Comparative Diffraction Study        and Phenomenological Theory, Phys. Rev B70 (2004) 14104-14110 ( V. P. Dmitriev, A. Yu. Kuznetsov, O. Bandilet, P. Bouvier, L. Dubrovinsky, D. Machon and H.P. Weber)

Collapsed hexagonal w phase in a compressed TiZr alloy: Angle-dispersive synchrotron-radiation x-ray diffraction study, Phys. Rev. B73 (2006) 94114-94119 ( V. P. Dmitriev, A. Yu. Kuznetsov, Le Bihan, T. L. Dubrovinsky, E.G. Ponyatovsky and H.P. Weber)

Structure of Earth and Planetary Materials

Study of laser-heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressure, Physics Chem. Minerals 26 (1999) 539-545 ( L. Dubrowinski, S. Saxena, P. Lazor, T. Le Bihan, D. Haeusermann and H.P. Weber)

Synchrotron X-Ray Diffraction of Iron under High Pressure and Temperature, AIRAPT-17 Proceedings, 2000 (Science and Technology of High Pressure, edited by Murli H. Manghnani, William J. Nellis and Malcolm F. Nicol, 2 volumes, 1117pp). ( P. Lazor, S.K. Saxena, L.S. Dubrovinsky, T. Le Bihan and H.P. Weber) 1059-1062,

 In-situ characterization of phase transitions in cristobalite under high pressure by Raman spectroscopy  and X-ray diffraction. J. Alloys and Compounds, 327 (2001) 87-95, ( V.B. Prokopenko, L.S. Dubrovinsky, V. Dmitriev and H.P. Weber)

Fe-O System at Extreme Conditions, Geochim. Cosmochim. Acta 66 (2002) A199 ( L. Dubrovinsky, N. Dubrovinskaia, G. Rozenberg and V. Dmitriev and H.P. Weber)

Structure of b-iron at high temperature and pressure Science 281 (1998) 11a ( L. Dubrowinski, S. Saxena, P. Lazor and H.P. Weber)

Iron-Silica interaction at Extreme Conditions and the Electrically Conducting Layer at the Base of the Earth’s Mantle, Nature 422 (2003) 58-61 ( L. Dubrovinsky, N. Dubrovinskaia, F. Langenhorst, B. Dobson, D. Rubie, C. Gessmann, I.A. Abrikosov, B. Johansson, V. I. Baykov, L. Vitos, T. LeBihan, W.A. Crichton, V. Dmitriev and H.P. Weber)

a-PbO2-type high-pressure polymorph of GeO2, Phys. Rev. B 67 (2003) 132101-132104 ( V.B. Prakapenka, L.S. Dubrovinsky, G. Shen, M.L. Rivers, S.R. Sutton, V. Dmitriev, T. LeBihan and H.P. Weber)

High-Pressure and High-Temperature Polymorphism in Silica, High-Pressure Research 23 (2003) 35-39 ( L. S. Dubrovinsky, N. Dubrovinskaia, V. Prakapenka, F. Seifert, F. Langenhorst, V. Dmitriev T. LeBihan and H.P. Weber)

Structure of the Metallic High-Pressure Fe₃O₄ Polymorph: Experimental and Theoretical Study, J. Phys.  Condens. Matter 15 (2003) 7697-7706 ( L.S. Dubrovinsky, N.A. Dubrovinskaia, C. McCammon, G. Kh.        Rozenberg, R. Ahuja, J.M. Osorio-Guillen, V. Dmitriev, H.P. Weber, T. Le Bihan and B. Johansson )

Size Effect on the Structure and Phase transition behavior of baddeleyite TiO2, Sol State Commun. 134 (2005) 541-546 ( V. Swamy, L.S. Dubrovinsky, N.A. Dubrovinskaia, Langenhorst, F., A.S. Simionovici, M. Drakopoulos, V. Dmitriev and H.P. Weber)

Synthesis of Novel Materials under Extreme Conditions

Experimental and theoretical identification of a new high-pressure TiO₂ polymorph, Phys. Rev. Letters 87 (2001) 275501-275503, ( N.A. Dubrovinskaia, L.S. Dubrovinsky, R. Ahuja, V. B. Prokopenko, V. Dmitriev, H.P. Weber, J.M. Osorio-Guillen and B. Johansson)

Structure of the Metallic High-Pressure Fe₃O₄ Polymorph: Experimental and Theoretical Study, J. Phys. Condens. Matter 15 (2003) 7697-7706 ( L.S. Dubrovinsky, N.A. Dubrovinskaia, C. McCammon, G. Kh. Rozenberg, R. Ahuja, J.M. Osorio-Guillen, V. Dmitriev, T. Le Bihan, H.P. Weber and B. Johansson)

Structure and SHG of the High Pressure Phase IV of HgBr2, Solid State Commun. 129 (2004) 359-363 ( Marc Hostettler, V. P. Dmitriev, H.P. Weber, D. Schwarzenbach, J. Helbing)

Crystal Structures of Pressure-Induced LiSrAlF₆ – II and LiCaAlF₆ II, J. Phys. Condens. Matter 16 (2004) 1033-1044 ( A. Grzechnik, V. Dmitriev, J-Y Gesland, S. van Smaalen and H.P. Weber)

LiSrAlF₆ with LiBaCrF₆-type Structure, J. Phys. Condens. Matter 16 (2004) 3005-3013 ( Andrzeij Grzechnik, V. Dmitriev, H.P. Weber, J-Y Gesland & S. van Smaalen)

Anisotropic thermal expansion in LiCaAlF₆ and LiSrAlF₆ , J. Phys. Condens. Matter 16 (2004) 5769-5780 ( A. Grzechnik, V. Dmitriev, H.P. Weber, J-Y Gesland, and S. van Smaalen)

Decomposition of LiGdF4 Scheelite at High Pressures, J. Phys. Condens. Matter 16 (2004) 7779-7786 ( A. Grzechnik, W.A. Crichton, P. Bouvier, V. Dmitriev,H.P. Weber and J-Y Gesland)

Pressure-induced tricritical phase transition from the scheelite to the fergusonite structure in LiLuF₄, J. Phys. Condens. Matter 17 (2005) 763-770 ( A. Grzechnik, Karen Friese, W.A. Crichton, V. Dmitriev, H.P. Weber and J-Y Gesland)

Dilithium zirconium hexafluoride Li2ZrF6 at high pressures: A new monoclinic phase, J. Phys. Chem. Sol. 66 (2005) 1769-1774 ( A. Grzechnik, V. Dmitriev, and H.P. Weber)

Structure of a New KZnPO₄ Microporous Material Determined from a 2.5 x 2.5 x 8 mm³ Single Crystal Using a Third Generation Synchrotron X-Ray Source, Chem. Materials 11 (1999) 2076-2080 ( R.W. Broach, R.L. Bedard, S.G. Song, J.J. Pluth, A. Bram, C. Riekel and H.P. Weber)

Experimental and theoretical identification of a new high-pressure TiO₂ polymorph, Phys. Rev. Letters 87 (2001) 275501-275503, ( N.A. Dubrovinskaia, L.S. Dubrovinsky, R. Ahuja, V. B. Prokopenko, V. Dmitriev, H.P. Weber, J.M. Osorio-Guillen, B. Johansson)

Diffraction Studies of Nanocrystals: Theory and Experiment, Acta Physica Polonica A 102 (2002) 57-82 ( B. Palosz, E. Grzanka, S. Gierlotka, S. Stel’makh, R. Pielaszek, U. Bismayer, J. Neuefeind, W. Palosz and H.P. Weber)

Applications of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC; the Concept of the Apparent Lattice Parameter (alp), Solid State Phenomena 94 (2002) 203-216, ( B. Palosz, E. Grzanka, S. Gierlotka, S. Stel’makh, R. Pielaszek, W. Lojkowski, U. Bismayer, H.P. Weber, Th. Proffen and W. Palosz)

 Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of        Powder Diffractometry, Z. Krist. 217 (2002) 497-509, ( B. Palosz, E. Grzanka, S. Gierlotka, S. Stel’makh, R.     Pielaszek, U. Bismayer, J. Neuefeind, Th. Proffen and R. Von Dreele and H.P. Weber)

Applications of X-ray Powder Diffraction to Nano-materials; Determination of the Atomic Structure of Nanocrystals with Relaxed and Strained Surfaces, Phase Transitions 76 (2003) 171-185, ( B. Palosz, E. Grzanka, S. Gierlotka, S. Stel’makh, R. Pielaszek, W. Lojkowski, U. Bismayer, J. Neuefeind, W. Palosz and H.P. Weber)

Compression Behavior of Nanocrystalline Anatase TiO₂, Sol. State Comm.125 (2003) 111-115, ( V. Swamy, L.S. Dubrovinsky, N.A. Dubrovinskaia, F. Langenhorst, A.S. Simionovici, M. Drakopoulos, V. Dmitriev and H.P. Weber)

Size effects on the structure and phase transition behavior of baddeleyite TiO2, Sol. State Comm. 134 (2005) 541-546 ( V. Swamy, L.S. Dubrovinsky, N.A. Dubrovinskaia, F. Langenhorst, A.S. Simionovici, M. Drakopoulos, V. Dmitriev and H.P. Weber)

X-ray Diffraction Studies of Thermal Properties of the Core and Surface Shell of Isolated and Sintered SiC Nanocrystals, J. Alloys and Compounds 382  (2004)138-145 ( S. Stel’makh, B. Palosz, E. Grzanka, S. Gierlotka and H.P. Weber)

Mineral Catalysis and Ion Exchange

Structure of a New KZnPO₄ Microporous Material Determined from a 2.5 x 2.5 x 8 mm³ Single Crystal Using a Third Generation Synchrotron X-Ray Source, Chem. Materials 11 (1999) 2076-2080 (R.W. Broach, R.L. Bedard, S.G. Song, J.J. Pluth, A. Bram, C. Riekel, H.P. Weber)

Dehydrated and Cs+-Exchanged MFI Zeolites: Location and Population of Cs⁺ from In-Situ Diffraction Data as a Function of Temperature and Degree of Exchange, J. Phys. Chem. B 110 (2006) 97-106 ( B.F. Mentzen, G. Bergeret, H. Emerich and H.P. Weber)

Hydrated Cs+-Exchanged MFI Zeolites: Location and Population of Cs+ Cations and Water Molecules in Hydrated Cs_6.6MFI from In and Ex Situ Powder X-ray Diffraction Data as a Function of Temperature and Other Experimental Conditions J. Phys. Chem. B 110 (2006) 13741-13752 ( B.F. Mentzen, G. Bergeret, H. Emerich and H.P. Weber)

Hydrated Cs+-Exchanged MFI Zeolites: Location of Extraframework species in CsxHyMFI·zH2O Phases from X-Ray Powder Diffraction and Differential Molar Adsorption Calorimetry. J. Phys. Chem. C 111 (2007) 3820-3830 (B.F. Mentzen, G. Bergeret, G.U. Rakhmatkariev , H.P. Weber)

Charge Density Studies

 The Charge Density of Urea from Synchrotron Diffraction Data Acta Cryst. A60 (2004) 371-381 ( H. Birkedal, D. Madsen, R. Mathiesen, K. Knudsen, P. Pattison,H.P. Weber and D. Schwarzenbach )

Experimental and theoretical characterization of the Zn—Zn bond in [Zn2(h5-C5Me5)2], Acta Cryst. B 63 (2007) 862-868(Juan F. Van der Maelen, Enrique Gutierrez-Puebla, Angeles Monge, Santiago Garcia-Granda, Irene Resa, Ernesto Carmona, Maria Teresa Fernandez-Diaz, Garry J. McIntyre, Philip Pattison and Hans-Peter Weber )

Magnetism

 Pressure dependence of the exchange interaction in the dimeric single-molecule magnet [Mn4O3Cl4(O2CEt)3(py)3]2 from inelastic neutron scattering, Physical Review B 74 (2006) 24405-24409 ( A. Sieber, D. Foguet-Albiol, O. Waldmann, S. T. Ochsenbein, G. Carver, H. Mutka, F. Fernandez-Alonso, M. Mezouar,H.P. Weber, G. Christou, H. U. Guedel )

On the precision and accuracy of structural analysis of light-induced metastable states, J. Appl. Cryst. 40 (2007) 1076-108 . (V. Legrand, S. Pillet, H.P. Weber, M. Souhassou, J-F Letard, P. Guionneau, C. Lecomte)

Out-of-equilibrium charge density distribution of the spin crossover compound [Fe(phen)2(NCS)2] from steady-state photocrystallographic measurements. Z. Krist  223 (2008) 235-249 (special issue) In press (V. Legrand, S. Pillet, H.P. Weber, M. Souhassou, J-F Letard, P. Guionneau, C. Lecomte)

General Synchrotron Crystallography

Crystal Structure of (-) D¹⁶⁽¹⁷⁾ -dehydrolupaninium perchlorate from sealed-tube and synchrotron X-ray diffraction data, J. Mol. Structure 474 (1999) 245-253  (Rydzyna 1997 Symposium issue)  ( A. Katrusiak, P. Dera, A. Kowalski, D. Kucharczyk and H.P. Weber)

Protonation Site and Hydrogen Bonding in Anhydrous and Hydrated Crystalline Forms of Doxazosin Mesylate from Powder Data, Acta Cryst. B59 (2003) 787-793, ( V.V. Chernyshev, D. Machon, H.P. Weber, A.N. Fitch, S.A. Zaitsev, A.V. Yatsenko, A.N. Shmakov)

Porous Titanosilicate Nanorods in the Structure of Yuksporite, (Sr,Ba)2K4(Ca,Na)14 ( ,Mn,Fe) {(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, Resolved using Synchrotron Radiation, Amer. Mineralogist, 89 (2004) 1561–1565, ( Krivovichev, S. V., Yakovenchuk, V. N., Armbruster, T., Doebelin, N., H.P. Weber, Pattison, P., and Depmeier, W. )

Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)(4)[Si-9(O,OH)(27)](OH)(2)center dot nH(2)O, a rare manganese phyllosilicate from the Kola peninsula, Russia,      Amer. Mineralogist, 89 (2004) 1816–1821, ( Krivovichev, S. V., Yakovenchuk, V. N., Armbruster, T., Pakhomovsky YA, and Depmeier, W.and H.P. Weber)