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Karpatite |
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Fawcett J K, Trotter J |
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Proceedings of the Royal Society of London A289 (1966) 366-376 |
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The crystal and molecular structure of coronene |
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Locality: synthetic |
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_database_code_amcsd 0015362 |
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16.11 4.70 10.10 90 110.9 90 P2_1/a |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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C1 -.1201 -.4079 .0381 .0611 .0683 .0481 -.0044 -.0186 .0071 |
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C2 -.1122 -.4788 .1782 .0799 .0731 .0593 -.0041 -.0262 .0068 |
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C3 -.0497 -.3600 .2913 .0685 .0829 .0662 .0059 -.0181 .0094 |
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C4 .0121 -.1607 .2786 .0568 .0720 .0539 -.0043 -.0186 .0067 |
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C5 .0799 -.0339 .3941 .0507 .0907 .0716 .0026 -.0166 .0067 |
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C6 .1364 .1555 .3761 .0524 .0922 .0709 -.0103 -.0212 .0050 |
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C7 .1339 .2444 .2410 .0540 .0731 .0546 -.0096 -.0158 .0063 |
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C8 .1909 .4490 .2167 .0651 .0845 .0616 -.0197 -.0217 .0022 |
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C9 .1843 .5286 .0847 .0818 .0733 .0629 -.0182 -.0204 .0035 |
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C10 -.0606 -.2029 .0183 .0512 .0585 .0452 -.0087 -.0157 .0067 |
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C11 .0057 -.0823 .1380 .0477 .0632 .0430 .0019 -.0162 .0064 |
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C12 .0666 .1210 .1206 .0467 .0625 .0428 -.0052 -.0158 .0069 |
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H2 -.1574 -.6338 .1946 5.3 |
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H3 -.0444 -.4214 .3940 5.3 |
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H5 .0827 -.0955 .4955 4.9 |
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H6 .1876 .2462 .4647 5.0 |
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H8 .2406 .5440 .3084 4.7 |
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H9 .2283 .6848 .0696 5.8 |
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