COL  ICSD Collection Code 316
 DATE Recorded Jan 1, 1980; updated Oct 15, 1996
 NAME Iron persulfide
 MINR Pyrite
 FORM Fe S2
      = Fe S2
 TITL Investigation of the bonding mechanism in pyrite using the 
      moessbauer effect and X-ray crystallography
 REF  Acta Crystallographica B (24,1968-38,1982)
      ACBCA 32 (1976) 529-537
 AUT  Finklea S, LeconteÿC, AmmaÿE
 CELL a=5.428 b=5.428 c=5.428 à=90.0 á=90.0 ç=90.0
      V=159.9 Z=4
 SGR  P a -3        (205) - cubic
 CLAS m-3   (Hermann-Mauguin) - Th  (Schoenflies)
 PRS  cP12
 ANX  AX2
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Fe     1  2.000    4a  0.      0.      0.
      S      1 -1.000    8c  0.38504 0.38504 0.38504
 WYCK c a
ÿ
 TF   Atom   á(1,1)  á(2,2)  á(3,3)  á(1,2)  á(1,3)  á(2,3)
      Fe 1    0.0021  0.0021  0.0021  0.0000  0.0000  0.0000
      S  1    0.0025  0.0025  0.0025 -0.0000 -0.0000 -0.0000
 REM  COA (values from published paper corrected through coorespondence 
      with the author)
 RVAL 0.036