Year Number of Pages Publisher ASTM. This test method covers direct determination of the proportion by mass of individual phases in portland cement or portland-cement clinker using quantitative X-ray QXRD analysis. The following phases are covered by this standard: alite tricalcium silicate , belite dicalcium silicate , aluminate tricalcium aluminate , ferrite tetracalcium aluminoferrite , periclase magnesium oxide , gypsum calcium sulfate dihydrate , bassanite calcium sulfate hemihydrate , anhydrite calcium sulfate , and calcite calcium carbonate.
This test method specifies certain general aspects of the analytical procedure, but does not specify detailed aspects. Recommended procedures are described, but not specified. The ICDD and the collaborating database organizations each have editorial mechanisms for updating historic data. Updates are frequently made by authors.
Corrections in the data are made by users of the database or editorial reviewers. Typically, tens of thousands of historical entries are updated each year.
For example, users can utilize the extensive permutable searches in each database, then define their own search subfile or use any of the "application or expert-defined" subfiles and subclasses to increase the accuracy of their phase identification. In many cases, this provides a unique capability to analyze the most difficult problems.
In the last few years, new algorithms have been added to identify non-crystalline materials and complex multi-phase specimens. Most of the algorithms were developed and optimized for a particular type of analysis and the selection options provide the user with a wide breadth of analytical capability. Some of them will be used during the presentation which will be focussed on new features and possibilites like to plot different graphs — dependencies in the database for example, lattice parameters vs.
However, one is still missing there and it is the COD — Crystallography Open Database [3] that is - Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers [4]. Currently June there are entries in the database which is fully open access as it has been constructed this way from the very beginning.
Only simple search is available including basically text, up to 8 elements chemical search Boolean logics , cell volume limits, journal, year, volume, issue, Z-limits, lattice parameters limits.
However, then CIF files are available containing all necessary structural information as well as JSmol structure preview. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation. The interface offers chemistry, diffraction, lattice, author and mineral searches. Mineralogy Database [6] contains minerals with a links and a comprehensive image library. Each mineral has a page linked to tables devoted to crystallography, crystal structures, X-Ray powder diffraction, chemical composition, physical and optical properties, Dana's New classification, Strunz classification, mineral specimen images, and alphabetical listings of mineral species.
There also are extensive links to other external sources of mineral data and information. Structures can be visualized in Jmol applets.
Mincryst [7] the Russian database Institute of Experimental Mineralogy, Moscow was created in and it is called "Crystallographic and Crystallochemical Database for Mineral and their Structural Analogues" and can be entered via English or Russian gate.
Currently it contains entries. It is a combination of structural database, theoretical powder patterns and software. Each entry has a mineral name, chemical formula, space group, lattice parameters, atomic coordinates, temperature factors, occupation and bibliographic information.
Software package includes calculation of powder pattern or mixture of phases, standardless phase analysis, structure visualization etc. Crystallographic server in Bilbao [9] provides information on space groups e. It is continuously developed and it is also a base for theoretical crystallography. Data of general interest like periodic element tables can be found at []. The last one [20] is focused on X-ray characteristics. It contains crystal structures of a large variety of inorganic materials and compounds.
The current release contains nearly , structural data sets including atom coordinates and displacement parameters, when determined for about , different chemical formulas, roughly 16, experimental powder diffraction patterns and about , calculated patterns interplanar spacings, intensities, Miller indices.
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