14. Crystallography for EXAFS

This chapter provides an overview of crystallography tools as implemented in ARTEMIS. Crystallographic data is provided either in the form of a CIF file or in a simpler format that has long been the input format for my ATOMS program.

Compared to other crystallography codes, the crystallography capabilities in ARTEMIS are, perhaps, a little crude and incomplete. The goal is to provide enough functionality to support the needs of the X-ray absorption spectroscopist.

This section discussed conventions for denoting space groups, the details of calculations using tables of absorption coefficients, and provides a worked example.

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