Abelsonite Hummer D R, Noll B C, Hazen R M, Downs R T American Mineralogist 102 (2017) 1129-1132 Crystal structure of abelsonite, the only known crystalline geoporphyrin Note: T = 100 K Locality: Green River formation, Uintah County, Utah, USA _database_code_amcsd 0020838 8.4416 10.8919 7.2749 90.465 113.158 78.080 P-1 atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ni .5 .5 .5 .0445 .93 .0268 .0813 .0345 -.0229 -.0165 .0126 Fe .5 .5 .5 .0445 .05 .0268 .0813 .0345 -.0229 -.0165 .0126 Cr .5 .5 .5 .0445 .02 .0268 .0813 .0345 -.0229 -.0165 .0126 N1 .6443 .6220 .5051 .0506 .0427 .0856 .0423 -.0330 .0276 -.0145 N2 .4250 .5918 .6893 .0474 .0254 .0832 .0385 -.0181 .0149 -.0120 C1 .7537 .6235 .4030 .0581 .0625 .085 .0592 -.0461 .0439 -.0227 C2 .8650 .7047 .4766 .0284 .378 .013 .035 .031 -.001 .006 .002 C3 .8030 .7754 .6030 .0392 .5 .025 .054 .040 -.012 .013 -.008 C4 .6804 .7115 .6304 .036 .5 .020 .050 .034 -.005 .009 -.001 C5 .5907 .7476 .753 .042 .5 .028 .053 .045 -.006 .015 -.007 C11 .0013 .7364 .4079 .036 .378 .026 .041 .042 -.011 .015 -.002 C12 .9157 .8402 .2374 .054 .378 .051 .071 .044 -.026 .018 .003 C13 .8520 .8926 .6995 .053 .5 .042 .063 .062 -.024 .024 -.021 C15 .1597 .6141 .9728 .049 .5 .041 .054 .067 -.014 .037 -.010 C16 .1160 .4961 .8515 .0616 .5 .064 .071 .085 -.034 .058 -.025 C6 .4658 .6994 .7770 .0505 .0352 .091 .0367 -.0315 .0175 -.0183 C7 .3796 .7354 .9134 .0497 .0401 .080 .0411 -.0285 .0221 -.0160 C8 .2847 .6483 .9057 .0460 .0340 .0663 .0486 -.0184 .0245 -.0143 C9 .3137 .5612 .7692 .0483 .0296 .0740 .0466 -.0152 .0192 -.0133 C10 .2280 .4642 .7277 .0566 .0482 .089 .0562 -.0305 .0380 -.0147 C14 .3975 .8462 .0357 .0655 .073 .096 .0571 -.052 .0417 -.0300 C2' .816 .7507 .437 .066 .5 .093 .076 .075 -.058 .063 -.029 C3' .751 .804 .552 .054 .277 .062 .072 .047 -.035 .031 -.012 C4' .6330 .7453 .5908 .046 .5 .036 .085 .029 -.031 .015 -.007 C5' .5548 .7837 .724 .051 .5 .054 .085 .033 -.041 .025 -.020 C11' .9529 .7716 .3585 .065 .5 .067 .086 .071 -.047 .043 -.017 C13' .800 .923 .642 .053 .277 .070 .073 .048 -.037 .047 -.017 C14' .730 .0224 .543 .067 .277 .104 .060 .056 -.040 .040 -.020 C15' .177 .6322 .0340 .054 .5 .059 .066 .059 -.027 .042 -.014 C2" .801 .732 .407 .050 .122 .062 .071 .048 -.036 .045 -.017 C11" .855 .805 .270 .028 .122 .022 .037 .040 -.014 .023 -.003 C12" .055 .780 .355 .047 .122 .032 .061 .054 -.018 .022 .010 C3" .731 .8328 .540 .049 .223 .064 .063 .043 -.029 .040 -.008 C13" .744 .9651 .604 .055 .223 .055 .059 .052 -.015 .022 -.006 C14" .9138 .9606 .8025 .042 .223 .052 .043 .043 -.020 -.020 -.011 H5 .6222 .8161 .8303 .05 .5 H11A .0574 .6602 .3623 .043 .378 H11B .0946 .7641 .522 .043 .378 H12A .8251 .812 .1235 .08 .378 H12B .0058 .8594 .196 .08 .378 H12C .8611 .9158 .283 .08 .378 H13A .9661 .8996 .7002 .079 .5 H13B .8606 .888 .8377 .079 .5 H13C .7612 .9666 .6235 .079 .5 H15A .053 .6828 .9382 .059 .5 H15B .2126 .5917 .1193 .059 .5 H16A .14 .4229 .9459 .074 .5 H16B .9891 .514 .761 .074 .5 H10 .1518 .4573 .7927 .068 .5 H14A .4755 .892 .0088 .098 .5 H14B .2809 .9021 .0002 .098 .5 H14C .4477 .8174 .1784 .098 .5 H14D .3272 .849 .1161 .098 .5 H14E .5219 .8389 .1248 .098 .5 H14F .3551 .9236 .9465 .098 .5 H5' .56 .8631 .7785 .061 .5 H11D .8969 .787 .2121 .097 .5 H11E .0496 .6967 .396 .097 .5 H11F .9997 .8445 .4171 .097 .5 H13D .777 .9297 .7659 .08 .277 H13E .9291 .9125 .6843 .08 .277 H14G .7523 .0196 .4211 .101 .277 H14H .777 .09 .6212 .101 .277 H14I .6019 .0384 .5071 .101 .277 H15D .0519 .6417 .9453 .08 .5 H15E .1891 .6964 .1307 .08 .5 H15F .2222 .5483 .1059 .08 .5 H11G .8088 .7777 .1322 .034 .122 H11H .8049 .8966 .2636 .034 .122 H12D .0986 .8158 .4848 .07 .122 H12E .0924 .8187 .2621 .07 .122 H12F .1035 .6889 .3729 .07 .122 H13F .6374 .0052 .6265 .066 .223 H13G .7494 .0165 .4958 .066 .223 H14J .9017 .9186 .9133 .063 .223 H14K .9272 .0466 .8334 .063 .223 H14L .0182 .9138 .784 .063 .223