CELL   4.9963    4.9963   13.8526    90.000    90.000   120.000
Fe      26    0.0000    0.0000    0.8553    1.0000    2.8700
O        O2-    0.3059    0.0000    0.2500    1.0000    3.4900
RGNR   167
 COL  ICSD Collection Code 15840
 DATE Recorded Jan 1, 1980; updated Apr 25, 1985
 NAME Iron(III) oxide - alpha
 MINR Hematite - from Elba, Italy
 FORM Fe2 O3
      = Fe2 O3
 TITL Refinement of the hematite structure
 REF  American Mineralogist
      AMMIA 51 (1966) 123-129
 AUT  Blake R L, Hessevick’R’E, Zoltai’T, Finger’L’W
 CELL a=5.038(2) b=5.038 c=13.772(12) ą=90.0 į=90.0 ē=120.0
      V=302.7 Z=6
 SGR  R -3 c H      (167) - trigonal
 CLAS -3m   (Hermann-Mauguin) - D3d (Schoenflies)
 PRS  hR30
 ANX  A2X3
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Fe     1  3.000   12c  0.          0.          0.35530(1)
      O      1 -2.000   18e  0.3059(1)   0.          1/4
 WYCK e c
’
 TF   Atom   į(1,1)  į(2,2)  į(3,3)  į(1,2)  į(1,3)  į(2,3)
      Fe 1    0.0080  0.0080  0.0003  0.0040  0.0000  0.0000
                 (1)     (1)     (0)     (1)
      O  1    0.0068  0.0083  0.0005  0.0042  0.0006  0.0012
                 (2)     (3)     (0)     (1)     (0)     (1)
 RVAL 0.036

 COL  ICSD Collection Code 24004
 DATE Recorded Jan 1, 1980
 NAME IRON(III) OXIDE
 MINR Hematite
 FORM Fe2 O3
      = Fe2 O3
 TITL The Structure of Hematite
 REF  Journal of the American Chemical Society
      JACSA 47 (1925) 781-790
 AUT  Pauling L, Hendricks’S’B
 CELL a=5.420 b=5.420 c=5.420 ą=55.1 į=55.1 ē=55.1
      V=99.8 Z=2
 SGR  R -3 c R      (167) - trigonal
 CLAS -3m   (Hermann-Mauguin) - D3d (Schoenflies)
 PRS  hR10
 ANX  A2X3
 PARM Atom__No OxStat  Wyck -----X----- -----Y----- -----Z-----  -SOF-
      Fe     1  3.000    4c  0.105(1)    0.105(1)    0.105(1)
      O      1 -2.000   12f  0.292(7)   -0.292(7)    0.            0.5
 WYCK f c
 REM  ODS (order-disorder structure)
 TEST No R value given in the paper. (Code 51)