COL  ICSD Collection Code 73661
 DATE Recorded Jan 10, 1995
 NAME Carbon
 FORM C60
      = C60
 TITL Structure of C60: Partial orientational order in the room-
      temperature modification of C60
 REF  Acta Crystallographica B (39,1983-)
      ASBSD 49 (1993) 832-838
 REF  Physical Review Letters
      PRLTA 69 (1992) 2943-2946
 AUT  Buergi H - B, Restori˙R, Schwarzenbach˙D
 CELL a=14.160 b=14.160 c=14.160 à=90.0 á=90.0 ç=90.0
      V=2839.2 Z=2
 SGR  F m -3 m      (225) - cubic
 CLAS m-3m  (Hermann-Mauguin) - Oh  (Schoenflies)
 PRS  cF148
 ANX  N
 PARM Atom__No OxStat  Wyck ---X--- ---Y--- ---Z---  -SOF-
      C      1  0.000  192i  0.21002 0.12271 0.95749   0.0764(9)
      C      2  0.000  192i  0.19585 0.13925 0.05683   0.0764(9)
      C      3  0.000  192i  0.11937 0.20551 0.06706   0.0764(9)
      C      4  0.000  192i  0.08629 0.22991 0.97404   0.0764(9)
      C      5  0.000  192i  0.14231 0.17874 0.90632   0.0764(9)
      C      6  0.000  192i  0.10142 0.14382 0.82679   0.0764(9)
      C      7  0.000  192i  0.94921 0.20626 0.87418   0.0764(9)
      C      8  0.000  192i  0.99251 0.24329 0.95842   0.0764(9)
      C      9  0.000  192i  0.92626 0.23305 0.0349    0.0764(9)
      C     10  0.000  192i  0.84202 0.18972 0.99791   0.0764(9)
      C     11  0.000    4a  0.      0.      0.        0.3888(78)
 WYCK i10 a
 ITF  C  11   U=0.0169(33)
˙
 TF   Atom   U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
      C  1    0.0840  0.1922  0.2433 -0.0969  0.0320  0.0189
      C  2    0.1061  0.1770  0.2380 -0.1033 -0.0431 -0.0307
      C  3    0.1963  0.0917  0.2332 -0.0931 -0.0309 -0.0530
      C  4    0.2208  0.0516  0.2472 -0.0750  0.0081  0.0209
      C  5    0.1725  0.1290  0.2173 -0.0951  0.0491  0.0615
      C  6    0.2092  0.1708  0.1376 -0.0539  0.0651  0.0920
      C  7    0.2379  0.0903  0.1892  0.0387 -0.0232  0.0958
      C  8    0.2481  0.0280  0.2423  0.0059 -0.0007  0.0366
      C  9    0.2289  0.0461  0.2434  0.0628  0.0099 -0.0309
      C 10    0.1556  0.1145  0.2473  0.1106 -0.0008  0.0016
 REM  REF (refinement of earlier measured intensity data)
 REM  F Refinement on data taken from the second reference.
 RVAL 0.036
 TEST Difference between the formula calculated from the PARM record and 
      the FORM record tolerable. (Code 21)
 TEST A site occupation is implausible or meaningless but agrees with 
      the paper. (Code 54)