Abstract
The principles and experimental methods of diffraction of radiation by crystals were discussed in the preceding chapter. In this chapter, we shall discuss the application of these principles to the determination of crystal structure. By “structure” we mean (1) the shape of the unit cell, i.e. the crystal system, (2) the size of the unit cell, i.e. the unit cell parameters, (3) the contents of the unit cell, i.e. the number of formula units per unit cell, (4) the symmetry of the internal atomic arrangement, i.e. the space group and (5) the atomic coordinates.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Lipson, W. Cochran, Determination of Crystal Structures (G. Bell and Sons, London, 1953).
H.S. Peiser, H.P Rooksby, A.J.C. Wilson, X-ray Diffraction by Polycrystalline Materials (Institute of Physics, London, 1955)
M.J. Buerger, Crystal Structure Analysis (John Wiley and Sons, New York, 1960)
E.F. Kaelble, Handbook of X-rays (McGraw-Hill Company, New York, 1967)
H.P. Klug, L.E. Alexander, X-ray Diffraction Procedures (John Wiley and Sons, New York, 1967)
G.B. Carpenter, Principles of Crystal Structure Determination (W.A. Benjamin, New York, 1969)
M.M. Woolfson, An Introduction to X-ray Crystallography (Vikas Publications, New Delhi, 1980)
M.F.C. Ladd, R.A. Palmer, Structure Determination by X-ray crystallography (Plenum Press, New York, 1977)
W. Massa, Crystal Structure Determination (Springer, Berlin, 2000)
R. Hesse, Acta Cryst. 1, 200 (1948)
H. Lipson, Acta Cryst. 2, 43 (1949)
T. Ito, X-ray Studies on Polymorphism (Maruzen, Tokyo, 1950)
D.B. Sirdeshmukh, L. Sirdeshmukh, K.G. Subhadra, Micro- and Macro-Properties of Solids (Springer, Berlin, 2001)
J.W. Mellor, A Comprehensive Treatise on Inorganic and Theoretical Chemistry, Vol. 12 (Orient Longman’s, London)
P. Groth, Chemische Krystallographie, 5 vols. (Engelmeann, Leipzig, 1906–1914)
C.A. Beevers, H. Lipson, Proc. R. Soc. A146, 570 (1934)
D. Crowfoot, J. Chem. Soc. 1241 (1938)
F.H. Herbstein, Acta Cryst. 13, 357 (1960)
J.D. Bernal, D. Crowfoot, Nature 134, 809 (1934)
H.M. Powell, D.M. Crowfoot, Z. Kristallogr. Kristallgeom. 87, 370 (1934)
R.W.G. Wyckoff, Crystal Structures, Vol. 1 (Interscience, New York, 1965)
S. Raman, J.L. Katz, in Handbook of X-rays, ed. by E.F. Kaelble (McGraw-Hill, New York, 1967)
P. Niggli, Geometrische Kristallographic des Discontinuums (Gobruder Born Traeger, Leipzig, 1919)
International Tables for Crystallography, Vol. I, International Union of Crystallography (Kynoch Press, Bermingham, 1982)
W.L. Bragg, Proc. R. Soc. (Lond.) A123, 537 (1929)
J.M. Robertson, J. Chem. Soc. 1195 (1936)
J.G. Sime, S.C. Abrahams, Acta Cryst. 13, 1 (1960)
A.J.C. Wilson. Nature, 150, 152 (1942)
A.L. Patterson, Phys. Rev. 46, 372 (1934)
J.M. Cork, Philos. Mag. 4, 688 (1927)
H. Wiebenga, C.J. Crom, Recl. Trav. Chim. 65, 663 (1946)
J.M. Robertson, I. Woodward, J. Chem. Soc. 36 (1940)
D. Harker, J.S. Kasper, Acta Cryst. 1, 70 (1948)
J. Gillis, Acta Cryst. 1, 76 (1948)
J. Karle, H. Hauptman, Acta Cryst. 3, 181 (1950)
D. Sayre, Acta Cryst. 5, 60 (1952)
W. Cochran, Acta Cryst. 5, 65 (1952)
G.N. Ramachandran, S. Raman, Curr. Sci. 25, 348 (1956)
D. Hodgkin, Nobel Lect. (Chemistry) (1965)
W.H. Bragg, Phil. Trans. R. Soc. 210, 253 (1915)
A.J.C. Wilson. Acta Cryst. 3, 397 (1950)
A. Tutton, Crystallography and Practical Crystal Measurement (Macmillan, London, 1922)
D. Harker, J. Chem. Phys. 4, 381 (1936)
B. Chaudhuri, A. Hargreaves, Acta Cryst. 9, 793 (1956)
H.M. Rietveld, Acta Cryst. 20, 508 (1966)
E.R. Howells, D.C. Phillips, D. Rogers, Acta Cryst. 3, 210 (1950)
J. Iball, K.J. Mackay, Acta Cryst. 15, 148 (1962)
F. Fowweather, A. Hargreaves, Acta Cryst. 3, 81 (1950)
A.J. Berg, F. Tuinstra, Acta Cryst. B34, 3177 (1978)
W. Cochran, Acta Cryst. 4, 81 (1951)
J.D. Dunitz, E.E. Meyer, quoted by Dorothy Crowfoot Hodgkin, Les Prix Nobel, p. 157, 1965.
F.M. Moore, B.T.M. Willis, Nature, 214, 129 (1967)
G.E. Bacon, Curry, Acta Cryst. 13, 10 (1960)
H.M. Rietveld, Acta Cryst. 22, 151 (1967)
H.M. Rietveld, J. Appl. Cryst. 2, 65 (1969)
O. Halpern, M.H. Johnson, Phys. Rev. 55, 898 (1939)
D.B. Wiles, R.A. Young, J. Appl. Cryst. 14, 149 (1981)
K. Venkatesan, D. Dale, D. Crowfoot-Hodgkin, C.E. Nockolds, F.H. Moore, B.H. O’Connor, Proc. R. Soc. A 323, 455 (1971)
W.R. Busing, H.A. Levy, Acta Cryst. 11, 450 (1958)
W.R. Busing, K.O. Martin, H.A. Levy, ORFLS (Oakridge National Laboratory, Oakridge, 1962)
G.M. Sheldrick, Acta Cryst. A64, 112 (2008)
F.R. Ahmed, K. Huml, B. Sedlacek, Crystallographic Computing Techniques (Munskgaard, Copenhagen, 1976)
D. Sayre, Computational Crystallography (Clarendon Press, Oxford, 1982)
S.R. Hall, T. Ashida, Methods and Applications of Crystallographic Computing(Clarendon Press, Oxford, 1984)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
Copyright information
© 2011 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
Sirdeshmukh, D.B., Sirdeshmukh, L., Subhadra, K.G. (2011). Principles of Crystal Structure Determination. In: Atomistic Properties of Solids. Springer Series in Materials Science, vol 147. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-19971-4_5
Download citation
DOI: https://doi.org/10.1007/978-3-642-19971-4_5
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-19970-7
Online ISBN: 978-3-642-19971-4
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)