Abstract
Formulas for estimating the values (0 or π) of the enantiomorph-insensitive two- and three-phase structure seminvariants in P21 and for identifying the enantiomorph-sensitive ones (i.e. those having the values ± π/2) have recently been secured. These procedures are here integrated in order to identify still more reliably those seminvariants having the values 0, π or ± π/2. The results are employed in two ways to strengthen direct-methods procedures. The first makes active use of the three-phase structure seminvariants alone and the second relies heavily on the three- and four-phase structure invariants but employs the seminvariant enantiomorph-specific figure of merit CRISEM to select the best of a number of possible solutions. The heavy dependence on the enantiomorph-sensitive seminvariants facilitates the selection and maintenance of the enantiomorph, often a source of difficulty in this space group.
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