Lecture 21 (12/11/2006)

X-Ray Diffraction (XRD)

Theory and Analytical
Technique
X-Ray Analysis
X-rays discovered in 1895
Fundamental to understanding of crystal
structure and symmetry
Powder diffraction analyses are a simple
and inexpensive method for identifying
minerals, especially fine-grained minerals

X-ray Generation
X-rays High energy*, highly penetrative
electromagnetic radiation

*E = hc/
(X-rays)
= 0.02-100 (~1)

(visible light)
= 4000-7200


X-ray Vacuum Tube

Cathode (W) electron
generator

Anode (Mo, Cu, Fe, Co, Cr)
electron target,
X-ray generator
X-ray Spectra
Continuous spectra (white
radiation) range of X-ray
wavelengths generated by
the absorption (stopping) of
electrons by the target
Characteristic X-rays
particular wavelengths
created by dislodgement of
inner shell electrons of the
target metal; x-rays
generated when outer shell
electrons collapse into vacant
inner shells
K peaks created by collapse
from L to K shell;
K peaks created by collapse
from M to K shell
K
K
X
X-ray Diffraction (Bragg Law)
n = 2d sin
Defines the spacing (d) of atomic planes and incident
angle () at which X-rays of a particular wavelength
will reflect in phase (i.e., diffract)
GE+EH = n

n
Powder Diffraction Method
Requires random
orientation of very fine
crystals
Incident beam of a certain
X-ray wavelength will
diffract from atomic planes
oriented at the appropriate
angles for the
characteristic d spacing
Random orientation of
crystals will produce more
intense diffraction peaks
for particular angles that
correspond to
characteristic atomic
planes
Powder Diffraction Plots
= arcsin (n / 2d)
(Cu) = 1.54
d - Qtz [101] = 3.342
= 13.32 ; 2 = 26.64
Quartz
X-Ray
Powder
Diffraction
Records
70,000
experimental
patterns
Utility of XRD in Chemical ID
(diagram after Smilth, 1975)
Silver Bay anorthosites and Duluth Complex
Anorthositic Series analyzed by Miller (1986)
Leveaux Porphyritic Diorite (LPD) analysed by Albers (2006)
XRD Structural State Analyses
Silver Bay anorthosites
Duluth Complex
Anorthositic Series
LPD
Last Lecture 12/13/06


Final Review:

Optical Mineralogy Trivia