ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The number of triple-phase relationships interrelating a set of phases, Q, may greatly exceed the number of unknown phases, M. Consequently it is usually possible to find a linearly independent set of M triple-phase invariants and the remaining Q-M may be expressed as linear combinations of these. From the expected distribution in the values of all the invariants and the interrelationships between them it is possible to find values for the independent set of relationships which are closer to their true values than zero, the ab initio expectation value of each of them. Ways of using the calculated values of the invariants are described and results are given for various trial structures. Possible improvements in the invariant-determining process are discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739475000940
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