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
K. ISHII

Some modification was done. See revised history.

Go to Old versiton

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