NEW CROSS REFERENCES IN THE POWDER DIFFRACTION FILE

摘要

The PDF-4+ database is becoming progressively more popular among analysts performing quantitative phase analysis using the Rietveld method. The upcoming 2013 release of PDF-4+ will have 183 193 atomic coordinates out of 340 653 entries. To facilitate quantitative phase analysis using the Rietveld method, a new cross reference system has been implemented to map entries with no atomic coordinates to ones with atomic coordinates. In release 2013, we have identified and mapped 36 252 such entries increasing the total number of entries with available atomic coordinates to 219 445.