COL  ICSD Collection Code 16013
 DATE Recorded Jan 1, 1980; updated May 18, 1988
 NAME Iron(III) oxide chloride
 FORM Fe O Cl
      = Cl Fe O
 TITL Refinement of the crystal structure of iron oxychloride
 REF  Acta Crystallographica B (24,1968-38,1982)
      ACBCA 26 (1970) 1058-1062
 AUT  Lind M D
 CELL a=3.780 b=7.917 c=3.302 à=90.0 á=90.0 ç=90.0
      V=98.8 D=3.55 Z=2
 SGR  P m n m Z     (59) - orthorhombic
 CLAS mmm   (Hermann-Mauguin) - D2h (Schoenflies)
 PRS  oP6
 ANX  AXY
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      Fe     1  3.000    2b  1/4     0.11568 3/4
      O      1 -2.000    2a  1/4    -0.04832 1/4
      Cl     1 -1.000    2a  1/4     0.33003 1/4
 WYCK b a2
ÿ
 TF   Atom   á(1,1)  á(2,2)  á(3,3)  á(1,2)  á(1,3)  á(2,3)
      Fe 1    0.0079  0.0036  0.0248  0.0000  0.0000  0.0000
      O  1    0.0111  0.0029  0.0243  0.0000  0.0000  0.0000
      Cl 1    0.0365  0.0039  0.0240  0.0000  0.0000  0.0000
 REM  B Origin shifted by .25 .0 .25
 REM  REF (refinement of earlier measured intensity data)
 RVAL 0.055
 TEST Calculated density unusual but tolerable. (Code 23)