Work

From metric properties to unit-cell databases and clusters

Year: 2017
Type: article
Abstract: For centuries matching experimental data to known information about crystal morphology has been a well-established approach to help identify or rule out possible candidate substances. Careful matching of unit cell data is of increasing importance in serial crystallography, both at XFELs and at synchrotrons. Steno (1669) noticed the constancy of interfacial angles of crystals. Federov (1911) prepared the first large compilation of the angles for 10,000 materials. The Barker Index (1952) listed data for a large number of crystals. Following the introduction of xrays in crystallography, Wycoff [1] collected tables of unit cell data (beginning in 1923). Unit cell data has the advantage that is doesn't depend on crystal perfection or form. The first online database of unit cell data was part of the CIS (Chemical Information System supported by the EPA and NIH) starting in 1978.
Language: English
Open Access status: bronze
OpenAlex ID: W2776751068
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