COL  ICSD Collection Code 2518
 DATE Recorded Jan 1, 1980; updated Nov 10, 1997
 NAME Copper iron sulfide
 MINR Chalcopyrite - from Western Mines, Vancouver Island, B.C., Canada
 FORM Cu Fe S2
      = Cu Fe S2
 TITL The crystal structure refinement of chalcopyrite, Cu Fe S2
 REF  Acta Crystallographica B (24,1968-38,1982)
      ACBCA 29 (1973) 579-585
 AUT  Hall S R, Stewart’J’M
 CELL a=5.289 b=5.289 c=10.423 ą=90.0 į=90.0 ē=90.0
      V=291.6 Z=4
 SGR  I -4 2 d      (122) - tetragonal
 CLAS -42m  (Hermann-Mauguin) - D2d (Schoenflies)
 PRS  tI16
 ANX  ABX2
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Cu     1  2.000    4a  0.      0.      0.
      Fe     1  2.000    4b  0.      0.      1/2
      S      1 -2.000    8d  0.2574  1/4     1/8
 WYCK d b a
’
 TF   Atom   U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
      Cu 1    0.0184  0.0184  0.0197  0.0000  0.0000  0.0000
      Fe 1    0.0117  0.0117  0.0118  0.0000  0.0000  0.0000
      S  1    0.0113  0.0132  0.0136  0.0000  0.0000  0.0014
 REM  REF (refinement of earlier measured intensity data)
 RVAL 0.031