Constraining the density....

Rory M Wilson ( "Rory )
Fri, 23 Jan 1998 15:03:10 GMT0BST

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Hello Everybody
Is there any way of constraining the density of a
crystal directly in GSAS? The problem I am trying to model
is one where one ion substitutes for another, but we don't
have an exact figure. We do however have an idea of the density,
and intend to measure it.
It would be nice to avoid the tedium of repeatedly drawing up
a table of fractional occupancies for the fixed occupancy atom and
plodding through them until a reasonable density is obtained.
Thank You in advance
Rory Wilson

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