Re: [Ifeffit] Ifeffit Digest, Vol 169, Issue 9

2017-03-15 Thread Bruce Ravel
On 03/14/2017 06:15 AM, Abhinav Prabhakar wrote: Attached is the CIF file in question. The crystal is Tobermorite 14A, taken from COD website. Abhinav, I don't understand the contents of the CIF file in the context of the copy of the International Tables that I have in front of me. The

Re: [Ifeffit] Ifeffit Digest, Vol 169, Issue 9

2017-03-14 Thread Abhinav Prabhakar
Hello, Thank you for your reply. Attached is the CIF file in question. The crystal is Tobermorite 14A, taken from COD website. However, the structure has partial occupancy and it is modified to include full occupancy. The modified CIF file shows a space group of B11b (and cannot be recognized