Calculate 2theta (Q,d) from Lattice Constants

CALCULATE 2theta (Q,d) FROM LATTICE CONSTANTS

First version May 22, 1999
Revised Oct. 11, 1999
Revised Aug. 2, 2000
Server changed May 6, 2001
Revised Sep. 10, 2013
See revised history.
K. ISHII

X-ray Source

Wavelength Å
Energy keV
Cu-Kα1 (1.541 Å)
Mo-Kα1 (0.7093 Å)
Ag-Kα1 (0.5594 Å)

Index

minimum maximum

Lattice Constants

cubic
a = Å
tetragonal
a = Å, c = Å
orthorhombic
a = Å, b = Å, c = Å
rhombohedral
a = Å, α = deg.
hexagonal
a = Å, c = Å
monoclinic
a = Å, b = Å, c = Å, β = deg.
triclinic
a = Å, b = Å, c = Å, α = deg., β = deg., γ = deg.

Standard Sample ( If you select a standard samle, symmetry is automatically determined. )
CeO₂ (cubic, a = 5.411102 Å, face-center)
Si (cubic, a = 5.43102088 Å, diamond-structure)
Diamond (cubic, a = 3.56703 Å, diamond-structure)
Ge (cubic, a = 5.6575 Å, diamond-structure)
Al (cubic, a = 4.04934 Å, face-center)
Cu (cubic, a = 3.61496 Å, face-center)

Symmetry

Primitive	Face-Center	Body-Center
A-Base-Center	B-Base-Center	C-Base-Center

Output Type

2θ Q ( = 4πsinθ/λ = 2π/d ) d ( = λ/2sinθ = 2π/Q )

This program is written in JaveScript, but it may not work in IE4.5 of Macintosh.

Question and Suggestion to

kenji@spring8.or.jp