American Mineralogist Crystal Structure Database

1 matching records for this search.

S48
 
Michel R, Kappes M, Adelmann P, Roth G
 
Angewandte Chemie 106 (1994) 1742-1746
Preparation and Crystal Structure of C76(S8)6: A First Step towards the
Crystallography of Higher Fullerenes
_cod_database_code 1001668
_database_code_amcsd 0011993
10.410 20.500 19.480 90 98.8 90 Cm
atom      x       y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .75780  .88903 .39632       .0308  .0780  .0395 -.0070  .0071 -.0108
S2   .76072  .79082 .41529       .0254  .0807  .0370 -.0019  .0030  .0021
S3    .5724  .75865 .40458       .0293  .0845  .0369 -.0061  .0109  .0000
S4    .5342  .71481 .30941       .0396  .0805  .0427 -.0086  .0018 -.0040
S5    .4240  .77831 .24402       .0320  .1010  .0502 -.0094 -.0060  .0012
S6    .5478  .82777 .19004       .0461  .0910  .0349 -.0037  .0025 -.0018
S7    .5894  .91431 .24056       .0391  .0800  .0483  .0023  .0060  .0036
S8    .7734   .9045 .29441       .0298  .0879  .0432 -.0100  .0093  .0015
S9    .0218      .5 .41960       .0255   .071  .0548      0  .0154      0
S10  .94112  .41955 .45780       .0264  .0828  .0544  .0051  .0096  .0194
S11  .79318  .38835 .38403       .0326  .0605  .0599  .0025  .0177 -.0020
S12  .62409  .41919 .41643       .0277  .0664  .0493  .0025  .0128  .0114
S13   .5619      .5 .35995       .0297  .0640  .0295      0 -.0022      0
S14   .9197       0 .52212       .0398   .077  .0441      0  .0200      0
S15   .9215 -.08089 .58369       .0279  .0850  .0558  .0104  .0066  .0140
S16  .73375 -.11450 .57601       .0321  .0714  .0374  .0075  .0089  .0077
S17   .6574 -.08057 .65985       .0433  .0828  .0320  .0081  .0121  .0147
S18   .5480       0 .62907       .0280  .0693  .0430      0  .0135      0
S19   .7283  .40639 .70364       .0332  .0911  .0487  .0119  .0145  .0106
S20   .7728  .40414 .60485       .0352  .0922  .0403  .0054  .0027  .0194
S21   .7622  .30922 .57174       .0366  .0984  .0399 -.0066  .0000  .0013
S22   .9455  .27028 .58826       .0437  .0898  .0382 -.0007  .0091 -.0043
S23   .9640  .21964 .67978       .0660  .0588  .0507 -.0038  .0026 -.0034
S24   .0673  .27541 .75588       .0421  .0573  .0420  .0025 -.0049  .0095
S25   .9341  .31792 .80979       .0545  .0658  .0312 -.0064  .0079  .0104
S26   .8988  .41000 .77111       .0443  .0602  .0360  .0056  .0097  .0013
C1   -.0028   .0029  .0023  .01
C2   -.2208  -.0469  .1093 .276
C3   -.1575   .0110  .1469 .276
C4    .1737   .0602 -.1222 .276
C5    .1916  -.0119 -.1262 .276
C6   -.3174  -.0390  .0522 .276
C7   -.0363  -.0006  .1858 .551
C8    .0567   .0852 -.1563 .276
C9    .2842  -.0403 -.0759 .276
C10   -.345  -.0809 -.0071 .276
C11   .0517   .0534  .1988 .276
C12   .0035   .1445 -.1332 .276
C13   .2767  -.1059 -.0511 .276
C14  -.2820  -.1401 -.0043 .276
C15   .0145   .1156  .1776 .276
C16   .0708   .1811 -.0805 .276
C17   .1818  -.1455 -.0858 .276
C18  -.1897  -.1546  .0574 .276
C19  -.1104   .1307  .1380 .276
C20   .1959   .1584 -.0463 .276
C21   .0847  -.1216 -.1409 .276
C22  -.1497  -.1092  .1114 .276
C23  -.1953   .0771  .1208 .276
C24    .246   .0970 -.0635 .276
C25   .0868  -.0548 -.1596 .276
C26  -.0135  -.1098  .1489 .276
C27  -.2909   .0819  .0558 .276
C28   .3301   .0614 -.0066 .276
C29  -.0355  -.0188 -.1874 .276
C30   .0459  -.0547  .1837 .276
C31  -.3450   .0238  .0258 .276
C32   .3436  -.0058 -.0174 .276
C33  -.0551   .0494 -.1828 .276
C34   .1805  -.0367  .1866 .276
C35  -.3776   .0162 -.0482 .276
C36    .360  -.0490  .0408 .276
C37  -.1752   .0787 -.1701 .276
C38   .2647  -.0656  .1450 .276
C39  -.3374   .0642 -.0918 .276
C40   .3432  -.0234  .1060 .276
C41  -.2779   .0410 -.1511 .276
C42   .2050  -.1270  .1232 .276
C43   -.296   .1252 -.0609 .276
C44   .3354   .0448  .1194 .276
C45  -.2592  -.0258 -.1677 .276
C46   .2471  -.1513  .0615 .276
C47  -.2030   .1634 -.0899 .276
C48   .2602   .0733  .1671 .276
C49   -.319  -.0731 -.1285 .276
C50   .0757  -.1519  .1253 .276
C51  -.2799   .1351  .0129 .276
C52   .3435   .0860  .0606 .276
C53  -.1471  -.0569 -.1883 .276
C54   .1469  -.1938  .0251 .276
C55  -.1293   .2021 -.0349 .276
C56   .2254   .1383  .1407 .276
C57  -.2479  -.1344 -.1248 .276
C58   .0431  -.1935  .0659 .276
C59  -.1808   .1842  .0267 .276
C60   .2794   .1444  .0776 .276
C61  -.1430  -.1233 -.1634 .276
C62  -.0864  -.1959  .0397 .276
C63  -.1004   .1827  .0890 .276
C64   .2092   .1797  .0252 .276
C65  -.0337  -.1574 -.1357 .276
C66   .1197  -.1922 -.0460 .276
C67   .0019   .2122 -.0304 .276
C68   .1047   .1589  .1508 .276
C69  -.2348  -.1682 -.0636 .276
C70  -.1173  -.2015 -.0348 .276
C71   .0365   .1979  .0961 .276
C72   .0880   .2102  .0344 .276
C73  -.0156  -.1982 -.0746 .276
C74   .3155  -.1128  .0221 .276
C75  -.1353   .1401 -.1402 .276
C76   .1820   .0317  .1973 .276
C77  -.3719  -.0488 -.0728 .276
C78  -.0018  -.0047  .0012  .01
C79  -.2747  -.0345  .0780 .224
C80  -.2658   .0384  .0796 .224
C81   .2467   .0153 -.0964 .224
C82   .2926  -.0421 -.0523 .224
C83  -.3277  -.0628  .0149 .224
C84  -.1782   .0666  .1321 .224
C85   .1511   .0107 -.1548 .224
C86   .3504  -.0246  .0142 .224
C87  -.2926  -.1283 -.0004 .224
C88  -.1191   .1288  .1233 .224
C89   .0478   .0532 -.1847 .224
C90   .3467  -.0725  .0676 .224
C91  -.2111  -.1643  .0472 .224
C92  -.1536   .1664  .0654 .224
C93   .0637   .1155 -.1585 .224
C94   .2984  -.1344  .0543 .224
C95  -.1566  -.1380  .1138 .224
C96  -.2525   .1412  .0121 .224
C97   .1659   .1315 -.1021 .224
C98   .2427  -.1521 -.0156 .224
C99  -.1834  -.0720  .1286 .224
C100 -.3043   .0774  .0161 .224
C101  .2514   .0825 -.0690 .224
C102  .2300  -.1058 -.0705 .224
C103 -.0773  -.0394  .1768 .224
C104 -.3486   .0362 -.0464 .224
C105  .3018   .0899  .0067 .224
C106  .1215  -.1072 -.1303 .224
C107 -.0854   .0291  .1746 .224
C108 -.3526  -.0328 -.0508 .224
C109  .3464   .0356  .0486 .224
C110  .0885  -.0498 -.1685 .224
C111  .0269   .0711  .1859 .224
C112 -.3188  -.0766 -.1032 .224
C113  .3258   .0294  .1198 .224
C114 -.0469  -.0439 -.1958 .224
C115  .1511   .0428  .1893 .224
C116 -.2602  -.0499 -.1575 .224
C117  .2439   .0731  .1489 .224
C118 -.1445  -.0838 -.1753 .224
C119  .1590  -.0261  .1988 .224
C120 -.2798   .0190 -.1610 .224
C121  .2203   .1306  .1073 .224
C122 -.1043  -.1430 -.1401 .224
C123  .2537  -.0661  .1737 .224
C124 -.1867   .0551 -.1921 .224
C125  .1018   .1630  .1153 .224
C126 -.1769  -.1714 -.0912 .224
C127  .0454  -.0662  .1972 .224
C128 -.3282   .0604 -.1109 .224
C129  .2501   .1425  .0390 .224
C130  .0326  -.1568 -.1229 .224
C131  .2019  -.1312  .1588 .224
C132 -.1805   .1212 -.1639 .224
C133  .0556   .1993  .0524 .224
C134 -.0870  -.2083 -.0415 .224
C135  .0714  -.1307  .1740 .224
C136 -.2694   .1237 -.1143 .224
C137  .1499   .1862  .0077 .224
C138  .0366  -.1994 -.0641 .224
C139 -.0281  -.1649  .1359 .224
C140 -.2343   .1623 -.0569 .224
C141  .1111   .1816 -.0626 .224
C142  .1384  -.1976 -.0110 .224
C143  .2223  -.1655  .1010 .224
C144 -.0584   .1484 -.1556 .224
C145 -.0728   .2017  .0238 .224
C146 -.1145  -.2069  .0252 .224
C147 -.0038  -.2054  .0787 .224
C148 -.1131   .1977 -.0502 .224
C149 -.0222   .1888 -.0959 .224
C150  .1223  -.2037  .0610 .224
C151  .3327  -.0391  .1309 .224
C152 -.0768   .0234 -.2062 .224
C153  .0153   .1321  .1513 .224
C154 -.2781  -.1369 -.0715 .224
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Total number of retrieved datasets: 1
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