XRD Database: Online Resource for Crystal X-Ray Diffraction Peaks

  • Context: Undergrad 
  • Thread starter Thread starter Gonzolo
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Discussion Overview

The discussion revolves around the availability of online databases for X-ray diffraction (XRD) peaks of various crystals, including both common and less common types. Participants explore resources, tools for calculating diffraction patterns, and specific databases.

Discussion Character

  • Exploratory, Technical explanation, Debate/contested

Main Points Raised

  • One participant inquires about online databases for XRD peaks.
  • Another mentions that while there may not be free large databases, programs like PowderCell can calculate diffraction patterns if provided with the necessary parameters.
  • A participant asserts that there is a database of XRD patterns, but it is not free and struggles to recall its name.
  • One participant identifies the database as the ICDD PDF (Powder Diffraction File) and provides a website link.
  • Another participant corrects the website to icdd.com, indicating a potential confusion with abbreviations.
  • A participant reflects on past experiences with a PDF database in a lab setting and mentions the difficulty in finding it online.
  • One participant requests a PDF card via email.

Areas of Agreement / Disagreement

Participants express uncertainty regarding the availability of free databases and the correct website for the ICDD PDF. There is no consensus on the existence of a comprehensive free database, and some confusion exists around the naming conventions of the resources discussed.

Contextual Notes

Limitations include potential misunderstandings of database names and the availability of resources, as well as the reliance on specific software for calculating diffraction patterns.

Who May Find This Useful

Individuals interested in X-ray diffraction, crystallography, and those seeking resources for calculating or accessing diffraction patterns may find this discussion relevant.

Gonzolo
Hi, are there any online databases for the x-ray diffraction peaks of common and less common crystals?
 
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I'm not sure if there are any free large databases but there are programs for calculating diffraction patterns. for example powdercell can calculate and draw the powder diffraction pattern of a crystal for you. you have to specify the space group, lattice parameters and the content for the program and it'll do the rest.
 
Yes, there is a database of xrd patterns. But it's not free, I can't remember the name off the top of my head. And googling it is going to be hard because I think it's "pdf...something".
 
it's idcc pdf (powder diffraction file) at idcc.com.
 
inha said:
it's idcc pdf (powder diffraction file) at idcc.com.

I think you meant icdd.com ;)
 
I stand corrected. Damn these abbreviations.
 
"Long ago", the lab I worked in had a PDF database on the computers. They even had hardcopy publications of PDF plots/data. I'm not sure where they are found online...other than ICDD, which is what came up when I googled "pdf powder diffraction".
 

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