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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 3.3, p. 123
Section 3.3.6.1. Table of phases
a
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8562, USA |
The data items in this category are as follows:
![[Scheme scheme21]](/schemes/Gach3o3scheme21.gif)
The bullet (![[\bullet]](/teximages/a1ach2o1/a1ach2o1fi16.svg)
) indicates a category key.
When a sample contains more than one phase, the PD_PHASE data items are used to create a table describing the phases present. For example, the name and abundance of each phase can be specified using _pd_phase_name and _pd_phase_mass_%, respectively.
Two types of pointers can also be defined:
(i) Since the crystallographic description of each phase must be incorporated in a separate data block, _pd_phase_block_id contains the unique block ID (see Section 3.3.7![[link]](/graphics/greenarr.gif)
) pointing to the block containing the data for the phase.
(ii) An arbitrary label is assigned to every phase using _pd_phase_id so that reflections can be assigned to a phase using _pd_refln_phase_id. This is discussed further in Section 3.3.5.4.
