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Subsections
Crystal Data Card Descriptions
The card descriptions which follow indicate the data required on
each type of Crystal Data card, and define how it should be presented.
Most initial letters have been assigned. Y and Z introduce
comment cards. I is for general instructions, and X has
been deliberately left for the user. The remaining assigned letters are used
for cards containing specific items of crystallographic data.
Three systems of axes are used in different places in CCSL. They are:
- 1.
- the direct space
crystallographic axes with
parallel to the cell edges
a, b, c .
They are used for atomic positions, zone axes etc.
- 2.
- The reciprocal space axes with
parallel to the reciprocal
cell edges
a
, b
, c
. They are used for reflection indices etc.
- 3.
- A standard set of orthogonal axes with:
parallel to a
(100)
parallel to c [001]
making up a right-handed set
These axes are used to describe the crystal form and for
spin directions. They will be referred to as CCSL orthogonal
axes.
Next: A Atomic positions etc.
Up: THE CRYSTAL DATA FILE
Previous: Routines to Read Specific
P.J. Brown - Institut Laue Langevin, Grenoble, FRANCE. e-mail brown@ill.fr