Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] Problems decoding ICSD crystal 31860

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] Problems decoding ICSD crystal 31860


Chronological Thread 
  • From: Katalin Gaal-Nagy <katalin.gaal-nagy@physik.uni-regensburg.de>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Problems decoding ICSD crystal 31860
  • Date: Wed, 16 Nov 2005 21:47:08 +0100 (CET)

Dear Gian-Marco,

you are right, I was overlooking it...

Best wishes,
Katalin



Dear Katalin,

for your information, the number of equivalent positions for the various atoms is different. From the table, we can see that Pb, Bi, and Cl occupy 4c sites (4 equivalent positions) while O is on a 8e Wyckoff site (8 equivalent positions). Hence, despite the number of independent atoms is 4, the unit cell contains 4+4+4+8=20 atoms (which is indeed a multiple of 5).

Best regards,

Gian-Marco.




Archive powered by MHonArc 2.6.16.

Top of Page