> Can anyone help me with a CIF file for Pyrrhotite 4C. The CIF output > from ICSD #42491 gives SG 15 setting F12/d1 which is not recognized by > TOPAS.
ICSD http://icsdweb.fiz-karlsruhe.de/ also gives a more recent entry for Fe7S8 Pyrrhotite 4C in setting C12/c1 (if you have access to the full database). ICSD itself will draw a 3D interactive structure using Java (Jmol) if you simply click on the formula. To construct the FeS octahedrae, check "select", select the Fe atoms with the mouse, then check "create". Powell, A.V.;Vaqueiro, P.;Knight, K.S.;Chapon, L.C.;Sanchez, R.D. Structure and magnetism in synthetic pyrrhotite Fe7S8: a powder neutron-diffraction study (2004) Phys.Rev., Serie 3.B - Condensed Matter 70, 014415-1-014415-12 _____________________________________________________________ Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/ _____________________________________________________________
