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A review of basic crystallography and x-ray diffraction applications

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Abstract

Although various researched works have been carried out in x-ray crystallography and its applications, but there are still limited number of researches on crystallographic theories and industrial application of x-ray diffraction. The present study reviewed and provided detailed discussion on atomic arrangement of single crystals, mathematical concept of Bravais, reciprocal lattice, and application of x-ray diffraction. Determination of phase identification, crystal structure, dislocation density, crystallographic orientation, and gran size using x-ray diffraction peak intensity, peak position, and peak width were discussed. The detailed review of crystallographic theories and x-ray diffraction application would benefit majorly engineers and specialists in chemical, mining, iron, and steel industries.

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Abbreviations

α, β, γ :

angle between unit cell dimensions in x, y, z directions respectively

α n, α o :

angle between unit cell dimensions in x, y, z directions respectively

β n, β o :

angles of diffracted and incident beams in y direction respectively

γ n, γ o :

angles of diffracted and incident beams in z direction respectively

r :

crystallographic direction vector

u, v, w :

crystallographic directions

δ :

dislocation density

L :

distance between two atoms in space

B :

full width at half maximum

B o :

instrument broadening

n 1, n 2, n 3 :

integer numbers corresponding to wavelength

δ ij :

Lattice tensor

a, b, c :

length of unit cell dimension in x, y, z directions respectively

h, k, l :

Miller indices of crystallographic planes

D :

particle size

R :

position lattice vectors

a 1 ,a 2 ,a 3 :

primitive lattice vector for position vectors

b 1 ,b 2 ,b 3 :

primitive lattice vector for reciprocal vectors

K :

reciprocal lattice vectors

K :

Scherrer constant

B L :

size broadening

d :

space distance

\( {\boldsymbol{d}}_{hkl}^{\ast} \) :

space distance lattice vectors

ε :

strain

B e :

strain broadening

B t :

total broadening peak

s,s o :

unit vector along diffracted and incident beam directions respectively

k,k o :

unit vector of reciprocal lattice along diffracted and incident beam directions respectively

λ:

x-ray wavelength

References

  1. Fultz B, Howe J (2013) Transmission electron microscopy and diffractometry of materials. Springer, Berlin, p 2

    Google Scholar 

  2. Razeghi M (2002) Fundamentals of solid state engineering. Kluwer Academic, New York, pp 5–6

    Google Scholar 

  3. Shackelford JF (2005) Introduction to materials science for engineers, 6th edn. Pearson Education International, London UK, p 6

    Google Scholar 

  4. Bhadeshia HKOH (2007) Lecture notes on x-ray and crystallographic, vol 6. Department of Material Science and Metallurgy, University of Cambridge UK, pp 11–12

  5. Sharma R, Bisen DP, Shukla U, Sharma BG (2012) X-Ray diffraction: a powerful method of characterizing nanomaterials. Recent Res Sci Technol 4(8):77–79

    Google Scholar 

  6. Pappas N (2006) Calculating retained austenite in steel post magnetic processing using x-ray diffraction. B S Undergrad Maths Exch 4(1):8–14

    MathSciNet  Google Scholar 

  7. Guma TN, Madakson PB, Yawas DS, Aku SY (2012) X-ray diffraction analysis of the microscopies of same corrosion protective bitumen coating. Int J Mod Eng Res 2(6):4387–4395

    Google Scholar 

  8. Hull B, John VB (1989) Non-destructive testing. Macmillan and Hound Mills Education Ltd Hampshire UK, p 5

  9. Hart M (1981) Bragg angle measurement and mapping. J Cryst Growth 55:409–427

    Google Scholar 

  10. Fewster PF (1999) Absolute lattice parameter measurement. J Mater Sci: Mater Electr 10:175–183

    Google Scholar 

  11. Magner SH, Angelis RJO, Weins WN, Makinson JD (2002) A historical review of retained austenite and its measurement by x-ray diffraction. Adv X-ray Anal 45:85–97

    Google Scholar 

  12. Jesche A, Fix M, Kreyssig A, Meier WR, Canfield PC (2018) X-ray diffraction on large single crystals using a powder diffractometer. Phil Magaz 96(20):1–9

    Google Scholar 

  13. Toraya H (2016) Introduction to x-ray analysis using the diffraction method. Rigaku J 32(2):35–43

    Google Scholar 

  14. Zheng G, Fu T, Hengzhi F (2000) Crystal orientation measurement by xrd and annotation of the butterfly diagram. Mater Charact 44:431–434

    Google Scholar 

  15. Putnam CD, Hammel M, Hura GL, Tainer JA (2007) X-Ray solution scattering (saxs) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assembling in solution. Q Rev Biophys 40(3):191–285

    Google Scholar 

  16. Askeland DR, Fulay PP, Wright WJ (2011) The science and engineering materials, 6th edn. Cengage Learning, USA, pp 62–101

    Google Scholar 

  17. Dekker AJ (1952) Solid state physics. MacMillan and Co Ltd, New York, pp 6–9

    Google Scholar 

  18. Pierret RF, Neudeck GW (2003) Advanced semiconductor fundamentals, 2nd edn. Pearson Education Inc, USA, pp 8–14

    Google Scholar 

  19. Nigam GD (1987) Derivation of space group in mm2, 222 and mm crystal classes. Conference of International Atomic Agency for theoretical physics, Trieste Italy, p 5

  20. Smart LE, Moore EA (2005) Solid state chemistry. Taylor & Francis Group, London, p 14–16, pp 106–108

  21. Schmid E, Boas IW (1935) Plasticity of crystals. Hughes & Co. Ltd, Germany, pp 2–5

    Google Scholar 

  22. Hofmann P (2013) Surface physics: an introduction. Philip Hofmann, Berlin, pp 11–12

    Google Scholar 

  23. Kaxiras E (2003) Atomic and electronic structure. New York, Cambridge, pp 82–83

    Google Scholar 

  24. Muller U (2013) Symmetry relationship between crystal structures: application of crystallographic group theory in crystal chemistry. 1st edn, Oxford University Press, UK, p 25–67

  25. Hammond C (2009) The basics of crystallography and diffraction, 3rd edn. Oxford University Press, UK, pp 249–255

    Google Scholar 

  26. Als-nielson J, Mcmorrow D (2011) Elementary of modern x-ray physics, 2nd edn. John & Wiley, UK, pp 153–157

    Google Scholar 

  27. Wood EA (1964) Vocabulary of surface crystallography. J Appl Physiol 35(4):1306–1312

    Google Scholar 

  28. Tilley R (2004) Understanding of solid: the science of materials. Willey & Sons Ltd, West Sussex, p 138

    Google Scholar 

  29. Ibach H (2009) Solid state physics: an introduction to principle of material science, 4th edn. Springer, pp 20–25

  30. Zhang Y, Colella R, Kycia S, Goldman AI (2002) Absolute structure-factor measurement of al-pd -mn of quasicrystal. Acta Cryst A 58:385–390

    Google Scholar 

  31. Authier A (2002) Dynamical theory of x-ray diffraction. Acta Cryst (A) 58:12–414

    Google Scholar 

  32. Sivia DS (2011) Elementary scattering theory for x-ray and neutron users. Oxford University Press, pp 7–New York, 10

  33. Hammond C (2001) The basics of crystallography and diffraction, vol 137, 2nd edn. Oxford University Press, New York, pp 194–197

    Google Scholar 

  34. Ashcroft NW, Mernin ND (1976) Solid state physics. HRW International Edition. Asian Ltd, Singapore, pp 5–7

    Google Scholar 

  35. Ewald PP (1912) To find the optical properties of an anisotropic arrangement of isotropic oscillator. Ph.D Thesis, Institute of Theoretical Physics, University of Munich Germany

  36. Fewster PF (2018) Response to Fraser & Wark’s comments on a new theory for x-ray diffraction. Acta Cryst A74:457–465

    MathSciNet  Google Scholar 

  37. Winter C (2000) Efficiently optimizing manufacturing processes using iterative taguchi analysis. Lambda Research Inc, Diffraction note, No25 p 1-4

  38. Gilmore CJ, Barr G, Paisley L (2004) High throughput powder diffraction. A new approach to qualitative and quantitative powder diffraction pattern analysis using full pattern profile. J Appl Cryst 37:231–242

    Google Scholar 

  39. Barman B, Sarma KC (2010) Structural characterization of PVA capped ZnS nano structured thin film. India J Phys 86(8):703–707

    Google Scholar 

  40. Jacob R, Nair HG, Isac (2015) Structural and morphological studies of nano-crystalline ceramic BaSro.9Feo.TiO4. Int Lett Chem Phys Astron 44:15–107

    Google Scholar 

  41. West AR (1974) Solid state chemistry and its application. Wiley & Sons, New York, p 27

    Google Scholar 

  42. Williamson GK, Hall WH (1953) X-ray line broadening from field aluminum and wolfram. Acta Metall 40(1):22–31

    Google Scholar 

  43. Vinila VS, Jacob R, Mony A, Nair HG, Isaa S, Rajan S, Nair AS, Isac J (2014) XRD studies on nano crystalline ceramic superconductor PbSrCaCuo at different treating temperature. Cryst Struct Theory Appl 3:1–9

    Google Scholar 

  44. Henry NF, Lipson H, Wooster WA (1961) The interpretation of x-ray diffraction photographs. Macmillian Ltd, London, p 33

    Google Scholar 

  45. Ungar T (1994) Strain broadening caused by dislocation. Mat Sci Forum 923:166–169

    Google Scholar 

  46. Weertman JR (1993) Hall-Petch strengthening in nano crystalline metals. Mater Sci Eng A166:161–167

    Google Scholar 

  47. Subbaiah YPV, Prathap P, Reddy KTR (2006) Structural, electrical and optical properties of ZnS film deposited by close- spaced evaporation. Appl Surf Sci 253(5):2409–2415

    Google Scholar 

  48. Hummer DR, Heaney PJ, Post JE (2007) Thermal expansion of anatase and rutile between 300 and 575k using synchrotron powder x-ray diffraction. Powder Diffract 22(4):352–356

    Google Scholar 

  49. Huang C, Hsu Y, Chen J, Suryanarayanan V, Lee K, Ho K (2006) The effects of hydrothermal temperature and thickness of TiO2 film on the performance of a dye-sensitized solar cell. Solar Energy Mater Sol 90:2391–2397

    Google Scholar 

  50. Nagash S, Gerhards MT, Tietz F, Guillon O (2018) Coefficient of thermal expansion of Al and Y-substituted NaSICON solid solution Na3+2xAlxYxZr2-2xSi2PO12. J Batter 4(33):1–9

    Google Scholar 

  51. Pathak PD, Vasavada NG (1970) Thermal expansion of nacl, KCl and CSBr by x-ray diffraction and the law of corresponding states. Acta Cryst A26:655–661

    Google Scholar 

  52. Jagtap N, Bhagwat M, Awati P, Ramaswamy V (2005) Characterization of nanocrystalline anatase titania: an in-situ HTXRD study. Thermochimica Acta 427(1 -2):37–41

    Google Scholar 

  53. Lekston Z, Zubko M (2016) X-ray diffraction studies of the reversible phase transformation in niti shape memory alloy. Acta Phys Polon A 130(4):1059–1062

    Google Scholar 

  54. Pederson R (2002) Microstructure and phase transformation of Ti-6AL-4V. MSc Thesis, Lulea University of Technology, Sweden

  55. Caffrey M, Hing FS (1987) A temperature gradient method for lipid phase diagram construction using time-resolve x-ray diffraction. J Biophys Soc 51:37–46

    Google Scholar 

  56. Malinov S, Sha W, Guo Z, Tang CC, Long AE (2002) synchrotron x-ray diffraction study of the phase transformation in titanium alloys. Mater Charact 48:279–295

    Google Scholar 

  57. Jia J, Raabe D (2006) Evolution of crystallinity and crystallographic orientation in isotactic polypropylene during rolling and heat treatment. Eur Poly J 42:1755–1766

    Google Scholar 

  58. Cleton F, Jouneau PH, Henry S, Gaumann M, Buffat PA (1999) crystallographic orientation assessment by electron backscattered diffraction. Scanning 21:232–237

    Google Scholar 

  59. Connolly JR (2012) Introduction to X-ray powder, Research note, EPS 400-001, p 10

  60. Alejandro BR (2007) Fast quantification of avion eggshell microstructure and crystallographic texture using two-dimension x-ray diffraction. Br Poult Sci 48(2):133–144

    Google Scholar 

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Ameh, E.S. A review of basic crystallography and x-ray diffraction applications. Int J Adv Manuf Technol 105, 3289–3302 (2019). https://doi.org/10.1007/s00170-019-04508-1

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