International Tables for Crystallography
Volume C: Mathematical, physical and chemical tables
First online edition (2006) ISBN: 978-1-4020-1900-5 eISBN: 978-1-4020-5408-2 doi: 10.1107/97809553602060000103
Edited by E. Prince
Contents
-
Preface to the third edition (p. xxxi) | html | pdf |
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Part 1. Crystal geometry and symmetry
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1.1. Summary of general formulae (pp. 2-5) | html | pdf | chapter contents |
- 1.1.1. General relations between direct and reciprocal lattices (pp. 2-3) | html | pdf |
- 1.1.1.1. Primitive crystallographic bases (pp. 2-3) | html | pdf |
- 1.1.1.2. Non-primitive crystallographic bases (p. 3) | html | pdf |
- 1.1.2. Lattice vectors, point rows, and net planes (pp. 3-4) | html | pdf |
- 1.1.3. Angles in direct and reciprocal space (pp. 4-5) | html | pdf |
- 1.1.4. The Miller formulae (p. 5) | html | pdf |
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References
| html | pdf |
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Tables
- Table 1.1.1.1. Direct and reciprocal lattices described with respect to conventional basis systems (p. 3) | html | pdf |
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1.2. Application to the crystal systems (pp. 6-9) | html | pdf | chapter contents |
- 1.2.1. Triclinic crystal system (p. 6) | html | pdf |
- 1.2.2. Monoclinic crystal system (p. 6) | html | pdf |
- 1.2.2.1. Setting with `unique axis
b
' (p. 6) | html | pdf |
- 1.2.2.2. Setting with `unique axis
c
' (p. 6) | html | pdf |
- 1.2.3. Orthorhombic crystal system (pp. 6-7) | html | pdf |
- 1.2.4. Tetragonal crystal system (p. 7) | html | pdf |
- 1.2.5. Trigonal and hexagonal crystal system (pp. 7-9) | html | pdf |
- 1.2.5.1. Description referred to hexagonal axes (pp. 7-8) | html | pdf |
- 1.2.5.2. Description referred to rhombohedral axes (pp. 8-9) | html | pdf |
- 1.2.6. Cubic crystal system (p. 9) | html | pdf |
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References
| html | pdf |
-
Tables
- Table 1.2.4.1. Assignment of integers
to pairs
h
,
k
with
(p. 7) | html | pdf |
- Table 1.2.5.1. Assignment of integers
to pairs
h
,
k
with
(p. 8) | html | pdf |
- Table 1.2.5.2. Assignment of integers
to triplets
h
,
k
,
l
with
and to integers
(p. 8) | html | pdf |
- Table 1.2.6.1. Assignment of integers
to triplets
h
,
k
,
l
with
(p. 9) | html | pdf |
-
1.3. Twinning (pp. 10-14) | html | pdf | chapter contents |
- 1.3.1. General remarks (p. 10) | html | pdf |
- 1.3.2. Twin lattices (pp. 10-12) | html | pdf |
- 1.3.2.1. Examples (pp. 11-12) | html | pdf |
- 1.3.3. Implication of twinning in reciprocal space (p. 12) | html | pdf |
- 1.3.4. Twinning by merohedry (pp. 12-14) | html | pdf |
- 1.3.5. Calculation of the twin element (p. 14) | html | pdf |
-
References
| html | pdf |
-
Figures
-
Tables
- Table 1.3.2.1. Lattice planes and rows that are perpendicular to each other independently of the metrical parameters (p. 11) | html | pdf |
- Table 1.3.4.1. Possible twin operations for twins by merohedry (p. 13) | html | pdf |
- Table 1.3.4.2. Simulated Laue classes, extinction symbols, simulated `possible space groups', and possible true space groups for crystals twinned by merohedry (type 2) (p. 13) | html | pdf |
-
1.4. Arithmetic crystal classes and symmorphic space groups (pp. 15-22) | html | pdf | chapter contents |
- 1.4.1. Arithmetic crystal classes (pp. 15-19) | html | pdf |
- 1.4.1.1. Arithmetic crystal classes in three dimensions (p. 15) | html | pdf |
- 1.4.1.2. Arithmetic crystal classes in one, two and higher dimensions (p. 16) | html | pdf |
- 1.4.2. Classification of space groups (pp. 20-21) | html | pdf |
- 1.4.2.1. Symmorphic space groups (p. 21) | html | pdf |
- 1.4.3. Effect of dispersion on diffraction symmetry (p. 21) | html | pdf |
- 1.4.3.1. Symmetry of the Patterson function (p. 21) | html | pdf |
- 1.4.3.2. `Laue' symmetry (p. 21) | html | pdf |
-
References
| html | pdf |
-
Tables
- Table 1.4.1.1. The two-dimensional arithmetic crystal classes (p. 15) | html | pdf |
- Table 1.4.2.1. The three-dimensional space groups, arranged by arithmetic crystal class (pp. 16-19) | html | pdf |
- Table 1.4.3.1. Arithmetic crystal classes classified by the number of space groups that they contain (p. 20) | html | pdf |
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Part 2. Diffraction geometry and its practical realization
-
2.1. Classification of experimental techniques (pp. 24-25) | html | pdf | chapter contents |
-
References
| html | pdf |
-
Tables
- Table 2.1.1. Summary of main experimental techniques for structure analysis (p. 25) | html | pdf |
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2.2. Single-crystal X-ray techniques (pp. 26-41) | html | pdf | chapter contents |
- 2.2.1. Laue geometry (pp. 26-29) | html | pdf |
- 2.2.1.1. General (pp. 26-27) | html | pdf |
- 2.2.1.2. Crystal setting (p. 27) | html | pdf |
- 2.2.1.3. Single-order and multiple-order reflections (pp. 27-29) | html | pdf |
- 2.2.1.4. Angular distribution of reflections in Laue diffraction (p. 29) | html | pdf |
- 2.2.1.5. Gnomonic and stereographic transformations (p. 29) | html | pdf |
- 2.2.2. Monochromatic methods (pp. 29-30) | html | pdf |
- 2.2.2.1. Monochromatic still exposure (p. 30) | html | pdf |
- 2.2.2.2. Crystal setting (p. 30) | html | pdf |
- 2.2.3. Rotation/oscillation geometry (pp. 31-34) | html | pdf |
- 2.2.3.1. General (p. 31) | html | pdf |
- 2.2.3.2. Diffraction coordinates (pp. 31-33) | html | pdf |
- 2.2.3.3. Relationship of reciprocal-lattice coordinates to crystal system parameters (p. 33) | html | pdf |
- 2.2.3.4. Maximum oscillation angle without spot overlap (pp. 33-34) | html | pdf |
- 2.2.3.5. Blind region (p. 34) | html | pdf |
- 2.2.4. Weissenberg geometry (pp. 34-35) | html | pdf |
- 2.2.4.1. General (p. 34) | html | pdf |
- 2.2.4.2. Recording of zero layer (p. 34) | html | pdf |
- 2.2.4.3. Recording of upper layers (pp. 34-35) | html | pdf |
- 2.2.5. Precession geometry (pp. 35-36) | html | pdf |
- 2.2.5.1. General (p. 35) | html | pdf |
- 2.2.5.2. Crystal setting (p. 35) | html | pdf |
- 2.2.5.3. Recording of zero-layer photograph (p. 35) | html | pdf |
- 2.2.5.4. Recording of upper-layer photographs (pp. 35-36) | html | pdf |
- 2.2.5.5. Recording of cone-axis photograph (p. 36) | html | pdf |
- 2.2.6. Diffractometry (pp. 36-37) | html | pdf |
- 2.2.6.1. General (p. 36) | html | pdf |
- 2.2.6.2. Normal-beam equatorial geometry (pp. 36-37) | html | pdf |
- 2.2.6.3. Fixed χ = 45° geometry with area detector (p. 37) | html | pdf |
- 2.2.7. Practical realization of diffraction geometry: sources, optics, and detectors (pp. 37-41) | html | pdf |
- 2.2.7.1. General (p. 37) | html | pdf |
- 2.2.7.2. Conventional X-ray sources: spectral character, crystal rocking curve, and spot size (pp. 37-38) | html | pdf |
- 2.2.7.3. Synchrotron X-ray sources (pp. 38-41) | html | pdf |
- 2.2.7.4. Geometric effects and distortions associated with area detectors (p. 41) | html | pdf |
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References
| html | pdf |
-
Figures
-
Tables
- Table 2.2.3.1. Glossary of symbols used to specify quantities on diffraction patterns and in reciprocal space (p. 32) | html | pdf |
- Table 2.2.5.1. The distance displacement (in mm) measured on the film
versus
angular setting error of the crystal for a screenless precession (
) setting photograph (p. 35) | html | pdf |
-
2.3. Powder and related techniques: X-ray techniques (pp. 42-79) | html | pdf | chapter contents |
- 2.3.1. Focusing diffractometer geometries (pp. 43-54) | html | pdf |
- 2.3.1.1. Conventional reflection specimen, θ–2θ scan (pp. 44-50) | html | pdf |
- 2.3.1.1.1. Geometrical instrument parameters (pp. 44-46) | html | pdf |
- 2.3.1.1.2. Use of monochromators (p. 46) | html | pdf |
- 2.3.1.1.3. Alignment and angular calibration (pp. 46-47) | html | pdf |
- 2.3.1.1.4. Instrument broadening and aberrations (pp. 47-48) | html | pdf |
- 2.3.1.1.5. Focal line and receiving-slit widths (p. 48) | html | pdf |
- 2.3.1.1.6. Aberrations related to the specimen (pp. 48-49) | html | pdf |
- 2.3.1.1.7. Axial divergence (p. 50) | html | pdf |
- 2.3.1.1.8. Combined aberrations (p. 50) | html | pdf |
- 2.3.1.2. Transmission specimen, θ–2θ scan (pp. 50-52) | html | pdf |
- 2.3.1.3. Seemann–Bohlin method (pp. 52-53) | html | pdf |
- 2.3.1.4. Reflection specimen, θ–θ scan (p. 53) | html | pdf |
- 2.3.1.5. Microdiffractometry (pp. 53-54) | html | pdf |
- 2.3.2. Parallel-beam geometries, synchrotron radiation (pp. 54-60) | html | pdf |
- 2.3.2.1. Monochromatic radiation, θ–2θ scan (pp. 55-57) | html | pdf |
- 2.3.2.2. Cylindrical specimen, 2θ scan (pp. 57-58) | html | pdf |
- 2.3.2.3. Grazing-incidence diffraction (p. 58) | html | pdf |
- 2.3.2.4. High-resolution energy-dispersive diffraction (pp. 58-60) | html | pdf |
- 2.3.3. Specimen factors, angle, intensity, and profile-shape measurement (pp. 60-69) | html | pdf |
- 2.3.3.1. Specimen factors (pp. 60-62) | html | pdf |
- 2.3.3.1.1. Preferred orientation (pp. 60-61) | html | pdf |
- 2.3.3.1.2. Crystallite-size effects (p. 62) | html | pdf |
- 2.3.3.2. Problems arising from the
K
α doublet (pp. 62-63) | html | pdf |
- 2.3.3.3. Use of peak or centroid for angle definition (p. 63) | html | pdf |
- 2.3.3.4. Rate-meter/strip-chart recording (p. 63) | html | pdf |
- 2.3.3.5. Computer-controlled automation (pp. 63-64) | html | pdf |
- 2.3.3.6. Counting statistics (pp. 64-65) | html | pdf |
- 2.3.3.7. Peak search (pp. 65-66) | html | pdf |
- 2.3.3.8. Profile fitting (pp. 66-69) | html | pdf |
- 2.3.3.9. Computer graphics for powder patterns (p. 69) | html | pdf |
- 2.3.4. Powder cameras (pp. 70-71) | html | pdf |
- 2.3.4.1. Cylindrical cameras (Debye–Scherrer) (p. 70) | html | pdf |
- 2.3.4.2. Focusing cameras (Guinier) (pp. 70-71) | html | pdf |
- 2.3.4.3. Miscellaneous camera types (p. 71) | html | pdf |
- 2.3.5. Generation, modifications, and measurement of X-ray spectra (pp. 71-79) | html | pdf |
- 2.3.5.1. X-ray tubes (pp. 71-74) | html | pdf |
- 2.3.5.1.1. Stability (p. 72) | html | pdf |
- 2.3.5.1.2. Spectral purity (p. 72) | html | pdf |
- 2.3.5.1.3. Source intensity distribution and size (p. 73) | html | pdf |
- 2.3.5.1.4. Air and window transmission (pp. 73-74) | html | pdf |
- 2.3.5.1.5. Intensity variation with take-off angle (p. 74) | html | pdf |
- 2.3.5.2. X-ray spectra (pp. 74-75) | html | pdf |
- 2.3.5.2.1. Wavelength selection (p. 75) | html | pdf |
- 2.3.5.3. Other X-ray sources (p. 75) | html | pdf |
- 2.3.5.4. Methods for modifying the spectrum (pp. 75-79) | html | pdf |
- 2.3.5.4.1. Crystal monochromators (pp. 76-78) | html | pdf |
- 2.3.5.4.2. Single and balanced filters (pp. 78-79) | html | pdf |
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References
| html | pdf |
-
Figures
-
Tables
- Table 2.3.3.1. Preferred-orientation data for silicon (p. 61) | html | pdf |
- Table 2.3.3.2.
R
(Bragg) values obtained with different preferred-orientation formulae (p. 61) | html | pdf |
- Table 2.3.5.1. X-ray tube maximum ratings (p. 72) | html | pdf |
- Table 2.3.5.2. β filters for common target elements (p. 78) | html | pdf |
- Table 2.3.5.3. Calculated thickness of balanced filters for common target elements (p. 79) | html | pdf |
-
2.4. Powder and related techniques: electron and neutron techniques (pp. 80-83) | html | pdf | chapter contents |
- 2.4.1. Electron techniques (pp. 80-82) | html | pdf |
- 2.4.1.1. Powder-pattern geometry (p. 80) | html | pdf |
- 2.4.1.2. Diffraction patterns in electron microscopes (p. 80) | html | pdf |
- 2.4.1.3. Preferred orientations (p. 80) | html | pdf |
- 2.4.1.4. Powder-pattern intensities (pp. 80-81) | html | pdf |
- 2.4.1.5. Crystal-size analysis (p. 81) | html | pdf |
- 2.4.1.6. Unknown-phase identification: databases (pp. 81-82) | html | pdf |
- 2.4.2. Neutron techniques (pp. 82-83) | html | pdf |
-
References
| html | pdf |
-
Figures
-
2.5. Energy-dispersive techniques (pp. 84-88) | html | pdf | chapter contents |
- 2.5.1. Techniques for X-rays (pp. 84-87) | html | pdf |
- 2.5.1.1. Recording of powder diffraction spectra (p. 84) | html | pdf |
- 2.5.1.2. Incident X-ray beam (p. 84) | html | pdf |
- 2.5.1.3. Resolution (p. 85) | html | pdf |
- 2.5.1.4. Integrated intensity for powder sample (pp. 85-86) | html | pdf |
- 2.5.1.5. Corrections (p. 86) | html | pdf |
- 2.5.1.6. The Rietveld method (p. 86) | html | pdf |
- 2.5.1.7. Single-crystal diffraction (p. 86) | html | pdf |
- 2.5.1.8. Applications (pp. 86-87) | html | pdf |
- 2.5.2. White-beam and time-of-flight neutron diffraction (pp. 87-88) | html | pdf |
- 2.5.2.1. Neutron single-crystal Laue diffraction (p. 87) | html | pdf |
- 2.5.2.2. Neutron time-of-flight powder diffraction (pp. 87-88) | html | pdf |
-
References
| html | pdf |
-
Figures
-
2.6. Small-angle techniques (pp. 89-112) | html | pdf | chapter contents |
- 2.6.1. X-ray techniques (pp. 89-104) | html | pdf |
- 2.6.1.1. Introduction (pp. 89-90) | html | pdf |
- 2.6.1.2. General principles (pp. 90-91) | html | pdf |
- 2.6.1.3. Monodisperse systems (pp. 91-99) |