Alternative to SDPD

Last modification : January 2001 - Armel Le Bail


Structure determination from one very small crystal is the alternative to powder diffraction data when there is no crystal suitable for a conventional single crystal study. Two possibilities are then : 1) Electronic microdiffraction and 2) X-rays from high intensity sources (synchrotron or rotating anode). The following publication list is not intended to be exhaustive on the subject (electron and X-ray diffraction mixed, few references given).


- Comparison of electron diffraction data from non-linear optically active organic DMABC crystals obtained at 100 and 300 kV
I.G. Voigt-Marti, H. Kothe, A.V. Yakimansky, A.V. Tenkovtsev, H. Zandbergen, J. Jansen and C. Gilmore,
Ultramicroscopy 83 (2000) 33-59.

- Direct structure analysis in protein electron crystallography via the density histogram: deoxycholate-treated purple membrane
D.L. Dorset
Z. Kristallogr. 215 (2000) 265-271.

- Chemical bonding effects in the determination of protein structures by electron crystallography
Chang S.  Head-Gordon T.  Glaeser RM.  Downing KH.
Acta Crystallogr. Sect. A. 55(2 Part 2):305-313, 1999.

- Structure determination to calculate nonlinear optical coefficients in a class of organic material
Voigt-Martin IG.  Li G.  Kolb U.  Kothe H.  Yakimanski AV.  Tenkovtsev AV. Gilmore C.
Phys. Rev. B-Condens Matter. 59(10):6722-6735, 1999.

- Direct methods in protein electron crystallography - beef liver catalase in its fully hydrated form at room temperature
Dorset DL.  Gilmore CJ.
Acta Crystallogr. Sect. A. 55(Part 3):448-456, 1999.

- The single-crystal structure of the organic superconductor beta(co)-(BEDT-TTF)(2)I-3 from a powder grain
Madsen D.  Burghammer M.  Fiedler S.  Muller H.
Acta Crystallogr. Sect. B-Struct. Sci. 55(Part 4):601-606, 1999.
Synchrotron radiation diffraction data on a microscopic single crystal (dimensions 12 x 10 x 2 mu m)

- Phase determination in protein x-ray crystallography at low resolution-6.0 angstrom Data from rubredoxin via the pseudoatom glob approximation
Dorset DL.  McCourt MP.
Z. Kristall. 214(10):652-658, 1999.

- The determination of the molecular structure of 2-fluoro-3,5-di-tert-butyl-1,3,2-oxazaphospholene by means of electron diffraction and ab initio calculations
Naumov VA.  Dakkuori M.  Ziatdinova RN.  Oberhammer H.
Mendeleev Communications. (1998) 89-90.

- Measurement of Debye-Waller factors by electron precession Source
Midgley PA.  Sleight ME.  Saunders M.  Vincent R.
Ultramicroscopy 75 (1998) 61-67.
 

- Structure of microporous QUI-MnGS-1 and in situ studies of its formation using time-resolved synchrotron X-ray powder diffraction
C.L. Cahill, Y. Ko, J.C. Hanson, K. tan and J.B. Parise,
Chem. Mater. 10 (1998) 1453-1458.
0.03x0.03x0.02 mm crystal

 - Corrections for multiple scattering in integrated electron diffraction intensities - Application to determination of structure factors in the [001] projection of AlMFe
Gjonnes K.  Cheng YF.  Berg BS.  Hansen V.
Acta Crystallogr. A54 (1998) 102-119.

- A new manganite with an original composite tunnel structure : Ba6Mn24O48
Ph. Boullay, M. Hervieu and B. Raveau
J. Solid State Chem. 132 (1997) 239-248.
Indexation from electron diffraction, structure guessed from electron diffraction, refinement from powder data.

- DIRECT SOLUTIONS OF THE SI(111) 7X7 STRUCTURE
Gilmore CJ. Marks LD. Grozea D. Collazo C. Landree E. Twesten RD.
Surface Science. 381 (1997) 77-91.

- DETERMINATION OF THE MOLECULAR STRUCTURE OF (CH3)(3)SICH=CH2 BY GAS-PHASE ELECTRON DIFFRACTION AND AB INITIO METHODS.
Page EM. Rice DA. Walsh R. Hagen K.
Journal of Molecular Structure. 403 (1997) 199-206.

- THE USE OF MAXIMUM ENTROPY STATISTICS COMBINED WITH SIMULATION METHODS TO DETERMINE THE STRUCTURE OF 4-DIMETHYLAMINO-3-CYANOBIPHENYL
Voigtmartin IG. Zhang ZX. Kolb U. Gilmore C.
Ultramicroscopy. 68 (1997) 43-59.

- LOW-ORDER STRUCTURE-FACTOR AMPLITUDE AND SIGN DETERMINATION OF AN UNKNOWN STRUCTURE ALMFE BY QUANTITATIVE CONVERGENT-BEAM ELECTRON DIFFRACTION
Acta Crystallographica - Section a - Foundations of Crystallograph 52 (1996) 923-936.
Cheng YF. Nuchter W. Mayer J. Weickenmeier A. Gjonnes J.

- ELECTRON CRYSTALLOGRAPHY.
Dorset DL.
Acta Crystallographica B52(1996) 753-769.

- LOW-ORDER STRUCTURE-FACTOR AMPLITUDE AND SIGN DETERMINATION OF AN UNKNOWN STRUCTURE ALMFE BY QUANTITATIVE CONVERGENT-BEAM ELECTRON DIFFRACTION
Cheng YF. Nuchter W. Mayer J. Weickenmeier A. Gjonnes J.
Acta Crystallographica - A52(1996) 923-936.

- Direct Methods in Protein Electron Crystallography: the Ab Initio Structure Determination of Two Membrane Protein Structures in Projection using Maximum Entropy and Likelihood,
C.J. Gilmore, W.V. Nicholson & D.L. Dorset, D. L.
Acta crystallogr. A52 (1996) 937.

- Structure determination from very small crystals,
M.M. Harding,
Materials Science Forum, Vols. 228-231, 3-10 (1996).

- RECORDING DIFFRACTION DATA FOR STRUCTURE DETERMINATION FOR VERY SMALL CRYSTALS
Harding MM.
Journal of Synchrotron Radiation. 3(1996) 250-259.

- QUANTITATIVE ELECTRON DIFFRACTION - FROM ATOMS TO BONDS
Midgley PA. Saunders M.
Contemporary Physics. 37(1996) 441-456.

- A crystal structure determined with 0.02-Angstrom-accuracy by electron microscopy,
T.E. Weirich, R. Ramlau, A. Simon, S. Hovmoller & X.D. Zou,
Nature 382 (1996) 144-146.

- Comments on the validity of the direct phasing and Fourier methods in electron crystallography,
D.L. Dorset,
Acta Crystallogr. A51 (1995) 869-879.

- Direct phasing in electron crystallography - Ab initio determination of a new MCM-22 zeolite structure,
S. Nicolopoulos, J.M. Gonzalezcalbet, M. Valletregi, A. Corma, C. Corell, J.M. Guil & J. Perezpariente,
J. Amer. Chem. Soc. 117 (1995) 8947-8956.

- Structure determination by electron crystallography using both maximum-entropy and simulation approaches,
I.G. Voigt-Martin, D.H. Yan, A. Yakimanski, D. Schollmeyer, C.J. Gilmore & G. Bricogne,
Acta Cryst. A51 (1995) 849-868.

-Electron crystallography of inorganic compounds. Direct determination of the basic copper chloride structure CuCl2.3Cu(OH)2,
D.L. Dorset,
J. Chem. Crystallogr. 24 (1994) 219-224.

- The use of maximum entropy and likelihood ranking to determine the crystal structure of 4-(4'-(N,N-dimethyl)aminobenzylidene)-pyrazolidine-3,5-dione at 1.4 angstrom resolution from electron diffraction and high-resolution electron microscopy image data,
I.G. Voigt-Martin, D.H. Yan, C.J. Gilmore, K. Shankland & G. Bricogne,
Ultramicroscopy 56 (1994) 271-288.

- Phase extension in electron crystallography using the maximum entropy method and its application to two-dimensional purple membrane data from Halobacterium halobium,
C.J. Gilmore, K. Shankland & J.R. Fryer,
Ultramicroscopy 49 (1993) 132-146.

- ELD - a computer program system for extracting intensities from electron diffraction patterns,
X. Zou, Y. Sukharev & S. Hovmoller,
Ultramicroscopy 49 (1993) 147-158.

- Electron microscopy at 1-A resolution by entropy maximization and likelihood ranking,
W. Dong, T. Baird, J.R. Frier, C.J. Gilmore, D.D. MacNicol, G. Bricogne, D.J. David, M.A. O'Keefe é S. Hovmoller,
Nature 355 (1992) 605-609.

- Direct phasing in electron crystallography: determination of layer silicate structures,
D.L. Dorset,
Ultramicroscopy 45 (1992) 5-14.

- Direct methods in electron crystallography - Structure analysis of boric acid,
D.L. Dorset,
Acta Cryst. A48 (1992) 568-574.

- Dynamical scattering and electron crystallography - Ab initio structure analysis of copper perbromophtalocyanine,
D.L. Dorset, W.F. Tivol and J.N. Turner,
Acta Cryst. A48 (1992) 562-568.

- Microdiffraction as a tool for crystal structure identification and determination,
J.P. Morniroli & J.W. Steeds,
Ultramicroscopy 45 (1992) 219-239.

- Is electron crystallography possible ? The direct determination of organic crystal structures,
D.L. Dorset,
Ultramicroscopy 38 (1991) 23-40.

- Electron-diffraction structure analysis of polyethylene. A direct phase determination,
D.L. Dorset,
Macromolecules 24 (1991) 1175-1178.

- Electron crystallography at atomic resolution: ab initio structure analysis of copper perchlorophtalocyanine,
D.L. Dorset, W.F. Tivol & J.N. Turner,
Ultramicroscopy 38 (1991) 41-45.

- K. Ohsumi, K. Hagiya and M. Ohmasa,
J. Appl. Cryst. 24 (1991) 340-348.

- Direct phase determination in electron crystallography: the crystal structure of an n-paraffin,
D.L. Dorset & F. Zemlin,
Ultramicroscopy 33 (1990) 227-236.

- Resolution of oxygen atoms in staurolite by tgree-dimensional transmission electron microscopy,
K.H. Downing, H. Meisheng, H.R. Wenk & M.A. O'Keefe,
Nature 348 (1990) 525-528.

- W. Rieck, H. Euler and H. Schulz,
Acta Cryst. A44 (1988) 1099-1011.

- R. Bachmann, H. Kohler, H. Schulz and H.P. Weber,
Acta Cryst. A41 (1985) 35-40.

- R. Bachmann, H. Kohler, H. Schulz, H.P. Weber, V. Kupcik, M. Wendschuh-Josties, A. Wolf and R. Wulf,
Angew. Chem. 95 (1983) 1013-1014.