Sender: madura@moe.chem.usouthal.edu (Jeffry D. Madura)
Subject: Re: WSN: ice coordinates
Dear Marv,
The information you need is as follows:
O (0.3333, 0.6667, 0.0629)
Ha(0.3333,0.6667,0.1989)
Hb(0.4551,0.9102,0.0182)
a=b=4.516 angstroms c=7.354 angstroms
alpha=beta=90 degrees gamma=120.0 degrees
space group for Ih is No. 194 P63/mmc
If you need this in Cambridge format I can send upon your request.
Regards,
jeffry