Review papers


These papers may not be exclusively devoted to structure determination from powder diffraction data. At least they deal a lot about this topic. The ratio is near of one review article for ten experimental cases solved ! A kind of proof that the subject is hot. Some papers are reviewing only parts of the topic (for instance direct space locating molecules, etc). 



Updated February 2003

Towards structure solution from powder diffraction data
Kamiyama,-T.
Journal-of-the-Crystallographic-Society-of-Japan. June 2002; 44(3): 168-75
Structure determination from powder diffraction data has developed rapidly over the recent years in Europe and US, and various tools and softwares have been presented to enable us to solve structures from powder diffraction data alone.

- Structure determination of molecular materials from powder duffraction data
K.D.M. Harris,
Current Opinion in Solid State and Materials Science 6 (2002) 125-130.

- Recent advances in structure solution from powder diffraction data.
Neumann MA, Leusen FJJ, Engel GE, Wilke S, Conesa-Moratilla C.
Int J Mod Phys B 2002;16:407–14.

- Crystallography and crystallographers. Personal reflections on the past, the present and the future of crystallography on the occasion of the 125-year anniversary of Zeitschrift fur Kristallographie
David-WIF
ZEITSCHRIFT-FUR-KRISTALLOGRAPHIE. 2002; 217 (7-8) : 295

- Contribution of the Rietveld method to non-stoichiometric phase modeling. Part I: Generalities
Joubert-JM
CALPHAD-COMPUTER-COUPLING-OF-PHASE-DIAGRAMS-AND-THERMOCHEMISTRY. SEP 2002;  26 (3) : 419-425

- Aspects of structural chemistry in molecular biology
Hargittai,-M.; Hargittai,-I. Domenicano,-A.; Hargittai,-I.
Strength-from-Weakness:-Structural-Consequences-of-Weak-Interactions-in Molecules,-Supermolecules,-and-Crystals. Proceedings-of-the-NATO-Advanced   -Research-Workshop. 2002: 91-119
Kluwer Academic Publishers, Dordrecht, Netherlands

- Using crystallography to understand polymer electrolytes
Andreev-YG; Bruce-PG
JOURNAL-OF-PHYSICS-CONDENSED-MATTER. SEP 10 2001; 13 (36) : 8245-8255
Detailed survey of the structural properties of all the crystalline phases of poly(ethylene oxide)-based polymer electrolytes along with various approaches to structure elucidation from powder diffraction data.

- Solving crystal structures from powder diffraction data in direct space - Progress in the application of genetic algorithms
K.D.M. Harris, B.M. Kariuki, R.L. Johnston
Advances in Structure Analysis, Edited by R. Kuzel and J. Hasek, published by the Czech and Slovak Crystallographic Association (2001) 190-204.

- Trends in structure determinations by powder diffractometry
A. Le Bail
Advances in Structure Analysis, Edited by R. Kuzel and J. Hasek, published by the Czech and Slovak Crystallographic Association (2001) 166-189.
Downloadable here as a zipped MS Word 97 file (115Ko).

- Structure determination from powder diffraction
V.V. Chernyshev
Russian Chemical Bulletin, International Edition 50, N°12 (2001) 2273-2292.

- A simulated annealing approach for crystal structure solution  from powder diffraction data
G.E. Engel, S. Wilke, KDM Harris, BM Kariuki, S Ahn, FJJ Leusen, MA Neuman
Mol. Cryst. Liq. Cryst. 356 (2001) 355-364.

- Determining the crystal structures of organic solids using X-ray powder diffraction together with molecular and solid state modeling techniques
Hammond-RB; Jones-MJ; Murphy-SA; Roberts-KJ; Smith-EDL; Klapper-H; Kutzke-H; Docherty-R; Cherryman-J; Roberts-RJ;Fagan-PG:
MOLECULAR-CRYSTALS-AND-LIQUID-CRYSTALS. 2001; 356 : 389-405

- Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems - Part I
Schon,-J.-C.; Jansen,-M.
Zeitschrift-fur-Kristallographie. 2001; 216(6): 307-25

- Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems. II
Schon,-J.-C.; Jansen,-M.
Zeitschrift-fur-Kristallographie. 2001; 216(7): 361-83
These include structure prediction of extended and  molecular crystals, structure prediction and folding of proteins,  structure analysis of zeolites, and structure determination of crystals  from powder diffraction data.

- The limits to the determination of crystal structure from powder X-ray diffraction data
Solans,-X.
Materials-Science-Forum. 2001; 378-381 pt. 1: 80-5

- Structure determination by powder diffractometry: Internet course
Le-Bail,-A.; Laligant,-Y.; Jouanneaux,-A.
Materials-Science-Forum. 2001; 378-381 pt. 1: 47-52

- Contemporary advances in the use of powder X-ray diffraction for structure determination
Harris-KDM; Tremayne-M; Kariuki-BM
ANGEWANDTE-CHEMIE-INTERNATIONAL-EDITION. 40 (2001) 1626-1651

- Solving complex zeolite structures from powder diffraction data
McCusker-LB; Baerlocher-C; Grosse-Kunstleve-R; Brenner-S; Wessels-T
CHIMIA 55 (2001) 497-504.

- Solving crystal structures from powder diffraction data using genetic algorithms.
Kariuki BM, Harris KDM, Johnston RL.
Mol Cryst Liq Cryst 2001;356:469–81.

- Structure solution of molecular crystals from powder diffraction data using genetic algorithms: opportunities in academic and industrial research.
Harris KDM, Johnston RL, Kariuki BM, Tedesco E, Turner GW.
Mater Sci Forum 2001;378–381:38–46.

- Structure determination of molecular crystals directly from powder diffraction data.
Harris KDM.
Rigaku J 2001;18:23–32.

- Crystal structure analysis using high-resolution synchrotron radiation powder diffraction data
Toraya-H
JOURNAL-OF-THE-CERAMIC-SOCIETY-OF-JAPAN. 109 (2001) 903-910

- Ab initio structure determination via powder X-ray diffraction
Porob-DG; Row-TNG
PROCEEDINGS-OF-THE-INDIAN-ACADEMY-OF-SCIENCES-CHEMICAL-SCIENCES. 113 (2001) 435-444.

- Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data
S. G. Zhukov, V. V. Chernyshev, E. V. Babaev, E. J. Sonneveld and H. Schenk
Zeitschrift fuer Kristallographie 216, 2001.

- Structure determination of organic molecules from diffraction data by simulated annealing.
Hsu HP, Hansmann UHE, Lin SC.
Phys Rev E 2001;64 (article no. 056707).

- Dynamic powder crystallography with synchrotron X-ray sources
J.B. Parise, C.L. Cahill and Y.J. Lee,
Canadian Mineralogist 38 (2000) 777-800.

- Inorganic ion exchangers, past, present, and future
Clearfield-A
SOLVENT-EXTRACTION-AND-ION-EXCHANGE. 2000; 18 (4)  655-678

- X-ray diffraction I: On the diffraction of xrays by crystalline solids
H.G. Brittain,
Spectroscopy 15 (2000) 44-49.

- Powder diffraction of organometallic compounds: the active use of multiple observations,
N.Masciocchi and A.Sironi,
Adv.X- ray Anal., (2000), 42, 366.
 

- Structure determination from conventional powder diffraction data: Application to hydrates, hydrochloride salts, and metastable polymorphs
G.A. Stephenson,
J. Pharma. Sci. 89 (2000) 958-966.

- New approaches for solving crystal structures from powder diffraction data
Harris KDM.
J. Chin. Chem. Soc. 46(1):23-34, 1999.

- Neutrons and synchrotron X-rays in materials science
Sosnowska IM.  Willis BTM.
J. Alloy. Compd. 286(1-2):174-179, 1999.

- An evolving technique for powder structure solution - fundamentals and applications of the genetic algorithm
Harris KDM.  Johnston RL.  Kariuki BM.
An. Quim.-Int. Ed. 94(6):410-416, 1998.

- The limits to the determination of crystal structure from powder X-ray diffraction data
Solans X.
An. Quim.-Int. Ed. 94(6):406-409, 1998.

- X-ray powder diffraction
Fuess H.
An. Quim.-Int. Ed. 94(6):388-395, 1998.

- Rietveld crystal structure refinement of tennantite, Cu-6(Cu0.48Fe5.52)As4S13
Ochando LE.  Casanova JM.  Esteve VJ.  Reventos MM.  Amigo JM.
An. Quim.-Int. Ed. 94(6):359-362, 1998.

- Recent developments in zeolite-like materials synthesis and characterisation
Logar NZ.  Golic L.  Kaucic V.
Croat. Chem. Acta. 72(2-3):187-208, 1999.

- Inorganic crystal structures from powder data - A retrospection
L. Smrcok and J. Majling,
Powder Diffraction 14(1) (1999) 5-9.

- Advances in Powder Diffraction Analysis
D. Louër
Acta Cryst. (1998). A54, 922 - 933

- Analytical applications of synchrotron radiation
S. J. Maginn
Analyst, Vol. 123 (March 1998) 19R-29R.

- Some achievements in neutron crystallography
Willis BTM.
Acta Crystallogr. Sect. A. 54(Part 6 Special Issue 1):914-921, 1998.

- In situ studies of the properties of materials under high-pressure and temperature conditions using multi-anvil apparatus and synchrotron X-rays
Parise JB.  Weidner DJ.  Chen J.  Liebermann RC.  Chen G.
Annual Review of Materials Science 28 (1998) 349-374.

- New structures - new insights: Progress in structure analysis of  nanoporous materials
Gies H.  Marler B.  Vortmann S.  Oberhagemann U.  Bayat P.  Krink K.  Rius  J.  Wolf I.  Fyfe C.
Microporous & Mesoporous Materials 21 (1998) 183-197.

- Crystal structure solution from powder diffraction data - State of the art and perspectives
A. Meden
Croatica Chemica Acta 71 (1998) 615-633.

- Modelling of structure, sorption, synthesis and reactivity in catalytic systems,
Catlow CRA. Ackermann L. Bell RG. Gay DH. Holt S. Lewis DW. Nygren MA. Sastre G. Sayle DC. Sinclair PE.
Journal of Molecular Catalysis A-Chemical. 115 (1997) 431-448.

- The contribution of powder diffraction methods to structural co-ordination chemistry
Masciocchi N.  Sironi A.
Journal of the Chemical Society-Dalton Transactions.  (1997) 4643-4650.


- The contribution of Powder Diffraction methods to structural crystallography: Rietveld and ab-initio techniques,
N.Masciocchi,
The Rigaku Journal, (1997), 14, 9.

- Application of X-ray powder diffraction techniques to the solution of unknown crystal structures,
D. M. Poojary & A. Clearfield
Accounts of Chemical Research 30 (1997) 414-422.

- Structure of metal hydrides from X-ray, synchrotron and neutron powder diffraction,
R. Cerny,
Materials Science Forum Vols. 228-231 (1996) 677-682.
This paper cites 24 references on metal hydrides which are not all included in the SDPD-D.

- Direct methods and powder data - State of the art and perspectives,
C. Giacovazzo,
Acta Crystallogr. A52 (1996) 331-339.

- Maximum entropy and bayesian statistics in crystallography - A review of practical applications,
C.J. Gilmore,
Acta Crystallogr. A52 (1996) 561-589.

-CRYSTAL STRUCTURE DETERMINATION FROM POWDER DIFFRACTION DATA ?
Harris KDM. Tremayne M.
Chemistry of Materials. 8 (1996) 2554-2570.

- Powder Diffraction,
J.I. Langford and D. Louer,
Rep. Prog. Phys. 59 (1996) 131-234.

- POWDER X-RAY DIFFRACTION 100 YEARS AFTER ROENTGEN,
Louer D.
Journal de Physique IV. 6(1996) 57-69.

- Crystal structures of metallo-organo phosphates from X-ray powder diffraction data,
D.M. Poojary & A. Clearfield,
J. Organomet. Chem. 512 (1996) 237-242.

- Advances in structure determination from powder diffraction data,
A. Altomare,G. Cascarano, G. Giacovazzo, A. Guagliardi, A.G.G. Moliterni, M.C. Burla and G. Polidori,
in: Giornate di Studio Sulla Diffrattometria a Raggi X da Materiali Policristallini, Ed. Universita di Milano, Supp. 98, (1995) 95-114.

- Industrial aspects of synchrotron X-ray powder diffraction,
R.J. Cernik & P. barnes,
Radiation Phys. Chem. 45 (1995) 445-447.

- High resolution powder diffraction studies of polycrystalline materials,
A.N. Fitch,
Nucl. Instr. & Meth. in Phys. Res. B97 (1995) 63-69.

- Synchrotron radiation - New opportunities for chemical crystallography,
M.M. Harding,
Acta Cryst. B51 (1995) 432-446.

- Solving crystal structures from powder diffraction data: Patterson, geometrical modelling, trial and error and maximum entropy methods,
M. Masciocchi,
in: Giornate di Studio Sulla Diffrattometria a Raggi X da Materiali Policristallini, Ed. Universita di Milano, Supp. 98, (1995) 115-140.

- Practical aspects of powder diffraction data analysis,
Ch. Baerlocher & L.B. McCusker,
in Advanced Zeolite Science and Applications, Studies in Surface Science and Catalysis, Vol 85 (1994) 391-428.

- Powder diffraction as a routine tool for ab-initio structure determinations of metal hydrides,
F. Bonhomme, R. Cerny, P. Fisher, F. Gingl, A. Hewat, B. Huang, N. Stetson, M. Yoshida, K. Yvon & M. Zolliker,
Mat. Sci. Forum Vols. 166-169 (1994) 597-602.
This paper cites 15 references on metal hydrides which are not all included in the SDPD-D.

- Crystal structure determination from X-ray powder diffraction data,
A. Clearfield,
The Rigaku Journal, 11 (1994) 1-3.

- Ab initio structure solution with powder diffraction data,
A.K. Cheetham,
in: The Rietveld Method, Ed. R.A. Young, Oxford Univ. Press, Chapter 15 (1993) 276-292.

- State-of-the art powder diffraction applications with conventional sealed-tube X-ray sources,
D. Louer,
Materials Science Forum 133-136 (1993) 7-24.

- Zeolite structure analysis using powder diffraction data,
L.B. McCusker,
Mat. Sci. Forum 133-136 (1993) 423-434.

- Recent advances in magnetic structure determination by neutron powder diffraction,
J. Rodriguez-Carvajal,
Physica B 192 (1993) 55-69.

- Techniques for ab initio structure determination from X-ray powder diffraction data,
P.R. Rudolf,
Mat. Chem. & Physics 35 (1993) 267-272.

- Synchrotron X-ray and neutron diffraction studies in Solid-State chemistry,
A.K. Cheetham & A.P. Wilkinson,
Angew. Chem., Int. Ed. Engl. 31 (1992) 1557-1570.

- High-resolution powder diffraction and structure determination,
D.E. Cox,
in: Synchrotron Radiation Crystallography, Ed: P. Coppens, Academic Press, Chapter 9 (1992) 186-254.

- Integrated software for structure solution from powder data,
L.B. McCusker,
NIST special publication 846 (1992) 75-79.

- Structure determination and refinement with synchrotron X-ray powder diffraction data,
A.K. Cheetham & A.P. Wilkinson,
J. Phys. Chem. Solids 52 (1991) 1199-1208.

- Zeolite crystallography. Structure determination in the absence of conventional single-crystal data,
L.B. McCusker,
Acta Cryst. A47 (1991) 297-313.

- Some recent developments and applications of powder diffraction,
D. Louer,
Chem. Scripta 28 (1988) 89-95.

- Structure determination by powder diffraction,
A.K. Cheetham,
Mat. Sci. Forum 9 (1986) 103-112.

- On the use of Guinier-Hagg data for structural studies,
P.-E. Werner,
Chem. Scripta 26 A (1986) 57-64.

- Solving crystal structures from powder diffraction data,
A. Norlund Christensen, M.S. Lehmann & M. Nielsen,
Aust. J. Phys. 38 (1985) 497-505.

- The new potential of powder diffraction. Structure determination and refinement using profile analysis technique,
H. Manohar,
Current Sci. 52 (1983) 39-44.

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Armel Le Bail