[Ifeffit] .cif or .inp file of NiO

[Scott Calvin]

For those of you who need this kind of information a lot, particularly if
you're at an institution that doesn't subscribe to key journals (e.g. Acta
Cryst.), I've found the Inorganic Crystal Structure Database to be a very
good investment. They've taken every published inorganic structure and put
it on a CD for 350 Euro for a personal license (they'd like you to get a
yearly subscription, but I find that for my purposes most of the structures
I need were published decades ago). There's a radnomly selected subset of
4% of their database on the web which is free...even if you don't want to
pay, sometimes you can get lucky there.

So yes, by all means check (and contribute to!) Matt's archive. The
archive, after all, is already in the form of .inp files, which the ICSD of
course is not. But if you want to have every structure on hand quickly,
ICSD is worth checking out.

And no, I don't have any financial or other connection with the publishers...

--Scott Calvin
Sarah Lawrence College

At 07:44 AM 6/23/2005 -0500, you wrote:
>On Wednesday 22 June 2005 18:26, pcl44474 at mail.ist.utl.pt wrote:
>> Do any of you have crystal data (.cif or .inp) regarding NiO?
>> I thank you all in advance.
>
>Hugo,
>
>The database of input data for Atoms is often a good place to start.  In this
>case, it would seem to be a superb place to start.
>
>http://cars9.uchicago.edu/~newville/adb/search.html
>>