SAV: XPD Pattern

Framework Type SAV

Powder Diffraction Pattern for edited data of Magnesium STA-7

Modify the data as desired and then press the submit button

Warning: no checking is performed. Please make sure that the data entered are sensible

	Material name
	Original composition
	Refined composition
	Edited composition

Space group:		Setting:
Unit cell:	a = Å	b = Å	c = Å
	α = °	β = °	γ = °

Atomic coordinates:

Atom name

Form factor

B(iso)

Al1    Al    0.06412    0.66568    0.0809    0.8    2.04 
Al2    Al    0.95577    0.83599    0.8422    0.8    2.13 
Al3    Al    0.9493    0.43481    0.3358    0.8    1.99 
Mg1    Mg    0.06412    0.66568    0.0809    0.2    2.04 
Mg2    Mg    0.95577    0.83599    0.8422    0.2    2.13 
Mg3    Mg    0.9493    0.43481    0.3358    0.2    1.99 
P1    P    0.06413    0.55768    0.3363    1    2.12 
P2    P    0.94979    0.66685    0.8378    1    2.12 
P3    P    0.06624    0.8342    0.0942    1    2.15 
O1    O    0.0574    0.6243    0.2463    1    3.78 
O2    O    0.0754    0.5807    0.4878    1    3.73 
O3    O    0.1273    0.5128    0.2903    1    3.67 
O4    O    0.995    0.5162    0.3239    1    3.8 
O5    O    0.9849    0.6567    0.9811    1    3.6 
O6    O    0.9974    0.6359    0.7225    1    3.6 
O7    O    0.8779    0.6292    0.8402    1    3.9 
O8    O    0.9376    0.7442    0.8068    1    4.1 
O9    O    0.9979    0.8449    0.0127    1    3.88 
O10    O    0.1297    0.863    0.0146    1    3.62 
O11    O    0.0599    0.8703    0.2363    1    4.14 
O12    O    0.0795    0.7556    0.1207    1    3.97

Input Profile Parameters

	Wavelength:	or
	2θ range:	° - °
	Step size:	°2θ
	Polarization factor:
	Background:
	Reference peak is	highest peak in 2θ range
		peak closest to °2θ
		reflection (hkl)
	scaled to
	Intensity axis:	-

Peak shape
	Pseudo-Voigt: (1-n)Gaussian + n Lorentzian
	FWHM = sqrt (U + V tan θ + W tan²θ)
	Mixing parameter (n):	%
	Peak range:	FWHM
	Peak width:
	set UVW at:	U = V = W =
	Calculate UVW such that	FWHM = at °2θ
		FWHM = at °2θ
		FWHM = at °2θ

Select Output

List hkl and intensity

List powder pattern

plot powder pattern