Lattice Matching (LM)—Prevention of Inadvertent Duplicate Publications of Crystal Structures
Lattice-matching techniques have proved to be extremely effective for the identification of unknown crystalline materials. A commonly employed lattice-matching strategy is based on matching the reduced cell of an unknown against a database of known materials represented by their respective standard reduced cells. The success of the method relies on the fact that the lattice or the lattice plus chemical information (e.g., element types) is highly characteristic of a material—like a fingerprint. Because of its intrinsic power, the procedure has many and diverse applications—in materials characterization, in nano-technology, in epitaxial growth, in materials design, etc. An especially fruitful role for the method is in the journal publication process as the quality of the scientific literature can be enhanced. The focus herein is on the major role that lattice matching can play in the prevention of inadvertent duplicate publications of the same structure and in the determination of key cross-references.
Using NIST Crystal Data Within Siemens Software for Four-Circle and SMART CCD Diffractometers
NIST Crystal Data developed at The National Institute for Standards and Technology has been incorporated with Siemens single crystal software for data collection on four-circle and two-dimensional CCD diffractometers. Why this database is useful in the process of single crystal structure determination, and how the database is searched, are described. Ideas for future access to this and other databases are presented.
Redistribution of rare-earth elements during diagenesis of carbonate rocks from the Mid-Proterozoic Newland Formation, Montana, U.S.A.
Abstract REE data for carbonate rocks from the Mid-Proterozoic Newland Formation, Belt Supergroup, show variable degrees of relative REE enrichment when normalized to a composite shale of the Newland Formation. Most conspicuous are relative enrichments in LREE's and positive Eu anomalies. Possible coprecipitation of REE's in carbonates from seawater is much too small to account for the REE enrichment, thus only diagenetic REE enrichment has to be considered. By far the strongest LREE enrichment is observed in carbonates with interbedded shales. During diagenesis REE apparently moved from the shale partings to the adjacent limestone beds. Massive limestone units have considerably smaller REE enrichments (except in proximity to shales), suggesting that REE addition from formation waters is less efficient for supplying REE's than is local redistribution between shale and limestone beds. Early precipitation of diagenetic silica in pore spaces reduces REE enrichment in limestone beds by reducing their permeability. Dolostones are cemented by pervasive early-diagenetic silica and lack significant REE enrichment except for Eu, probably because silica cement prohibited access of REE-bearing pore waters. Positive Eu anomalies indicate reduction of Eu to the divalent state during diagenesis and relatively large mobility of divalent Eu.