symbolic array lengths to be coordinated between various fields
number of temperatures
number of values in applied electric field
number of values in applied magnetic field
number of values in applied pressure field
number of values in applied stress field
One group like this per component can be recorded For a sample consisting of multiple components.
Descriptive name of sample component
The chemical formula specified using CIF conventions.
Abbreviated version of CIF standard:
* Only recognized element symbols may be used.
* Each element symbol is followed by a 'count' number. A count of '1' may be omitted.
* A space or parenthesis must separate each cluster of (element symbol + count).
* Where a group of elements is enclosed in parentheses, the multiplier for the
group must follow the closing parentheses. That is, all element and group
multipliers are assumed to be printed as subscripted numbers.
* Unless the elements are ordered in a manner that corresponds to their chemical
structure, the order of the elements within any group or moiety depends on
whether or not carbon is present.
* If carbon is present, the order should be:
- C, then H, then the other elements in alphabetical order of their symbol.
- If carbon is not present, the elements are listed purely in alphabetic order of their symbol.
* This is the *Hill* system used by Chemical Abstracts.
Crystallography unit cell parameters a, b, and c
Crystallography unit cell parameters alpha, beta, and gamma
Volume of the unit cell
This will follow the Busing and Levy convention from Acta.Crysta v22, p457 (1967)
Orientation matrix of single crystal sample component.
This will follow the Busing and Levy convention from Acta.Crysta v22, p457 (1967)
Mass of sample component
Density of sample component
Relative Molecular Mass of sample component
Description of the sample component
Volume fraction of component
Scattering length density of component
In case it is all we know and we want to record/document it