Crystal structure determination / Werner Massa

1 Introduction
2 Crystal Lattices
2.1 The Lattice
2.2 The fourteen Bravais Lattice

3 The geometry of X-ray diffraction
3.1 X-rays
3.2 Interferences by a one dimensional Lattice
3.3 The Laue equations
3.4 Lattice planes and hkl indices
etc.

4 The reciprocal Lattice
4.1 From the direct to the reciprocal lattice
4.2 The Ewald construction

5 Structure factors
5.1 atom form factors
5.2 Atom displacement
5.3 Structure factors

6 Crystal symmetry
6.1 Simple symmetry elements
6.2 Symmetry directions
6.3 Symmetry elements involving translation
6.4 The 230 space groups
etc.

7 Experimental methods
7.1 Growth, choice and mounting of a single crystal
7.2 Measuring the diffraction pattern of single crystals
7.3 Area detector system
7.4 Data reduction
etc.

8 Structure solution
8.1 Fourier transforms
8.2 Patterson methods
8.3 Direct methods
8.4 The triplet relationship
etc.

9 Structure refinement
9.1 The method of least squares
9.2 Weights
9.3 Crystallographic R-values
9.4 Refinement techniques
etc.

10 Additional topics
10.1 Disorder
10.2 Anomalous dispersion and absolute structure
10.3 Extinction
10.4 The Renninger effect
etc.

11 Errors and pitfalls
11.1 Wrong atom types
11.2 Twinning
11.3 False unit cells
11.4 Space group errors
etc.

12 Interpretation and presentation of results
12.1 bond lengths and bond angles
12.2 best planes and torsion angles
12.3 Structural geometry and symmetry
12.4 Structural diagrams
12.5 Electron density

13 Crystallographic databases
13.1 The inorganic crystal structure database
13.2 The Cambridge structural database
13.3 The metals crystallographic data file
etc.

14 Outline of a crystal structure determination
15 Worked example of a structure determination

Bibliography : p. 199 - 203 . _ Index : p. 205 - 210