Amarantite Mereiter K ICSD Communications 2018 (2018) https://dx.doi.org/10.25505/fiz.icsd.cc20vqvg Experimental crystal structure determination Note: T = 100 K Locality: Tierra Amarilla, Chile _database_code_amcsd 0020885 6.6278 8.8605 11.5790 97.564 95.709 90.355 P-1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe1 .35586 .58823 .56394 .00506 .00500 .00535 .00484 .00026 .00061 .00065 Fe2 .72601 .42698 .73715 .00544 .00533 .00609 .00503 .00035 .00050 .00124 S1 .42256 .67187 .85013 .00601 .00599 .00695 .00498 .00024 .00062 .00034 O1 .35448 .70163 .72753 .00756 .0097 .0083 .0046 .00104 .00024 .00072 O2 .53395 .52634 .84282 .00873 .0100 .0086 .0082 .00309 .00282 .00199 O3 .24095 .65498 .90930 .01041 .0075 .0166 .0079 .0016 .00294 .0028 O4 .55386 .79765 .90699 .01126 .0134 .0096 .0094 -.0032 -.0023 -.0008 S2 -.05575 .71187 .43207 .00529 .00498 .00522 .00590 .00031 .00082 .00141 O5 .06463 .66801 .53826 .00743 .0064 .0098 .0063 .00131 .00002 .00250 O6 .08264 .72074 .34002 .00749 .0073 .0083 .0076 .00069 .00296 .00199 O7 -.15008 .85710 .45951 .00896 .0100 .0067 .0108 .00298 .00309 .0017 O8 -.21049 .59144 .38790 .00823 .0075 .0078 .0094 -.00256 -.00094 .00271 O9 .61304 .48829 .59596 .00655 .0065 .0079 .0053 .00097 .00029 .00117 O1W .47052 .79781 .53909 .00935 .0109 .0084 .0092 -.00154 .00311 .0012 H1A .53892 .83803 .59574 .028 H1B .53006 .80414 .48307 .028 O2W .90906 .61746 .75213 .00877 .0083 .0105 .0075 -.00222 -.00007 .0019 H2A .93580 .64089 .69092 .042 H2B .00973 .62781 .79687 .028 O3W .89662 .38697 .88658 .01055 .0092 .0163 .0070 .0039 .00153 .0042 H3A .84708 .37561 .94516 .034 H3B .99775 .33824 .88482 .025 O4W .54804 .23774 .73279 .01009 .0087 .0079 .0147 .00024 .0037 .0031 H4A .59428 .15464 .73345 .031 H4B .45368 .24344 .77109 .027 O5W .68862 .95517 .73111 .01241 .0111 .0103 .0163 -.0007 .0010 .0037 H5A .80904 .95389 .72969 .030 H5B .66150 .91509 .78577 .040 O6W .10335 .96652 .72094 .01150 .0141 .0089 .0118 .0018 .0017 .0024 H6A .17000 .89141 .71842 .025 H6B .11004 .00191 .66131 .037 O7W .23899 .21972 .87282 .01131 .0116 .0117 .0102 -.0002 -.0009 .0010 H7B .29138 .20604 .93577 .040 H7A .20096 .13892 .83804 .028