International Tables for Crystallography (2006). Vol. B. ch. 1.2, pp. 10-24
https://doi.org/10.1107/97809553602060000550 |
Chapter 1.2. The structure factor
Contents
- 1.2. The structure factor (pp. 10-24) | html | pdf | chapter contents |
- 1.2.1. Introduction (p. 10) | html | pdf |
- 1.2.2. General scattering expression for X-rays (p. 10) | html | pdf |
- 1.2.3. Scattering by a crystal: definition of a structure factor (p. 10) | html | pdf |
- 1.2.4. The isolated-atom approximation in X-ray diffraction (pp. 10-11) | html | pdf |
- 1.2.5. Scattering of thermal neutrons (p. 11) | html | pdf |
- 1.2.6. Effect of bonding on the atomic electron density within the spherical-atom approximation: the kappa formalism (pp. 11-13) | html | pdf |
- 1.2.7. Beyond the spherical-atom description: the atom-centred spherical harmonic expansion (pp. 14-15) | html | pdf |
- 1.2.8. Fourier transform of orbital products (pp. 17-18) | html | pdf |
- 1.2.9. The atomic temperature factor (p. 18) | html | pdf |
- 1.2.10. The vibrational probability distribution and its Fourier transform in the harmonic approximation (pp. 18-19) | html | pdf |
- 1.2.11. Rigid-body analysis (pp. 19-22) | html | pdf |
- 1.2.12. Treatment of anharmonicity (pp. 22-23) | html | pdf |
- 1.2.13. The generalized structure factor (pp. 23-24) | html | pdf |
- 1.2.14. Conclusion (p. 24) | html | pdf |
- References | html | pdf |
- Tables
- Table 1.2.7.1. Real spherical harmonic functions (x, y, z are direction cosines) (pp. 12-13) | html | pdf |
- Table 1.2.7.2. Index-picking rules of site-symmetric spherical harmonics (Kara & Kurki-Suonio, 1981) (p. 15) | html | pdf |
- Table 1.2.7.3. `Kubic Harmonic' functions (pp. 16-17) | html | pdf |
- Table 1.2.7.4. Closed-form expressions for Fourier transform of Slater-type functions (Avery & Watson, 1977; Su & Coppens, 1990) (p. 19) | html | pdf |
- Table 1.2.8.1. Products of complex spherical harmonics as defined by equation (1.2.7.2a) (p. 20) | html | pdf |
- Table 1.2.8.2. Products of real spherical harmonics as defined by equations (1.2.7.2b) and (1.2.7.2c) (p. 20) | html | pdf |
- Table 1.2.8.3. Products of two real spherical harmonic functions in terms of the density functions defined by equation (1.2.7.3b) (p. 21) | html | pdf |
- Table 1.2.11.1. The arrays and to be used in the observational equations [equation (1.2.11.9)] (p. 21) | html | pdf |
- Table 1.2.12.1. Some Hermite polynomials (Johnson & Levy, 1974; Zucker & Schulz, 1982) (p. 22) | html | pdf |