Powder pattern - edit data

Modify input data for Cancrinite
and calculate its powder diffraction pattern

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

Atomic coordinates:		Atom name	Form factor	x	y	z	PP	B(iso)
	NA1 Na 0.6667 0.3333 0.1354 1.0 1.86 NA2 Na 0.1254 0.2521 0.2943 1.0 1.21 SI1 Si 0.3300 0.4115 0.7500 1.0 0.32 AL1 Al 0.0772 0.4121 0.75 1.0 0.27 O1 O 0.2019 0.4035 0.6586 1.0 0.56 O2 O 0.1157 0.5619 0.7248 1.0 0.74 O3 O 0.0329 0.3526 0.0588 1.0 0.69 O4 O 0.3161 0.3582 0.0486 1.0 0.72 C1 C 0.0 0.0 0.173 0.595 3.27 O5 O 0.1179 0.0603 0.173 0.6 1.57 H2O1 O2-(H2O) 0.378 0.701 0.179 0.333 5.28

Wavelength:

Peak shape parameters (The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan²θ)) :

Peak range:

FWHM

Mixing parameter:

Intensity scale:
	Reference peak, scaled to , is the
	highest peak in 2θ range	peak closest to °2θ	reflection (hkl)

	Plot parameters:
		Output:		Size:		Intensity axis:		-


List hkl and intensity	plot powder pattern