Problem: GSAS

2004-07-09 Thread Sean X. Ouyang
ext. 6664 -Original Message-From: santu chakraborty [mailto:[EMAIL PROTECTED] Sent: Friday, July 09, 2004 1:25 AMTo: [EMAIL PROTECTED]Subject: Problem: GSAS Dear all,   We are trying to solve a powder crystal structure containing Praseodymium ( At. No

Problem: GSAS

2004-07-09 Thread Peter Zavalij
binghamton.edu/zavalij    -Original Message-From: santu chakraborty [mailto:[EMAIL PROTECTED]Sent: Friday, July 09, 2004 1:25 AMTo: [EMAIL PROTECTED]Subject: Problem: GSAS Dear all,   We are trying to solve a powder crystal structure containing Praseodymium ( At. No. 59) as hea

RE: Problem: GSAS

2004-07-09 Thread Kaduk, Jim A
that you may need to fix one or more of the Pr coordinates to keep the refinement stable.   Jim  Kaduk BP Chemicals Naperville IL USA -Original Message-From: santu chakraborty [mailto:[EMAIL PROTECTED] Sent: Friday, July 09, 2004 12:25 AMTo: [EMAIL PROTECTED]Subject: Problem

Problem: GSAS

2004-07-08 Thread santu chakraborty
Dear all,   We are trying to solve a powder crystal structure containing Praseodymium ( At. No. 59) as heavy atom. We have index the powder pattern by using the programme TREOR and DICVOL . Both gives the same results with a very figure of merits ( 23, 45). We have got the Pr co-ordinat