Romerite
	Mereiter K
	ICSD Communications 2018 (2018) https://dx.doi.org/10.25505/fiz.icsd.cc20vqsd
	Experimental crystal structure determination
	Locality: synthetic
	_database_code_amcsd 0020887
	6.3190 6.4521 15.3158 85.855 89.828 79.065 P-1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 0 0 0 .01963 .01784 .02101 .01980 -.00446 .00143 .00209
	Fe2 .40626 .33832 .32060 .01281 .01251 .01120 .01500 -.00280 .00139 -.00134
	S1 .63681 .59250 .16811 .01532 .01463 .01411 .01732 -.00376 .00168 .00075
	S2 .09271 .75972 .38688 .01327 .01455 .01004 .01536 -.00294 .00101 -.00025
	O1 .51663 .43248 .20887 .02335 .0294 .0235 .0205 -.0139 .0074 -.0005
	O2 .83555 .58272 .21829 .0342 .0190 .0288 .0535 -.0057 -.0134 .0085
	O3 .50583 .80585 .17073 .02365 .0229 .0170 .0295 .0002 -.0047 -.0020
	O4 .6762 .53918 .07834 .0362 .0610 .0285 .0230 -.0172 .0202 -.0060
	O5 .24355 .62128 .33058 .0280 .0289 .0165 .0366 .0020 .0104 -.0052
	O6 -.06781 .64333 .42244 .0259 .0320 .0275 .0234 -.0184 .0077 -.0028
	O7 .2178 .82517 .45657 .0284 .0390 .0268 .0230 -.0168 -.0109 .0021
	O8 -.00823 .94473 .33057 .02246 .0187 .0150 .0322 -.0023 -.0047 .0064
	O1W .1308 .24896 .04965 .0470 .0741 .0461 .0331 -.0388 .0213 -.0134
	H1 .1830 .3195 .01363 .070
	H2A .1821 .2612 .09626 .5 .13
	H2B .0457 .3268 .07674 .5 .10
	O2W -.3114 .11259 .04925 .0376 .0317 .0267 .0525 -.0021 .0194 -.0006
	H3 -.3437 .2356 .0575 .072
	H4 -.3841 .0499 .0802 .073
	O3W -.09204 .1763 -.11736 .0489 .0239 .0790 .0429 -.0228 -.0116 .0373
	H5 -.2126 .1893 -.1357 .049
	H6 -.0236 .2299 -.1534 .056
	O4W .15760 .25733 .25584 .02216 .0168 .0194 .0311 -.0074 -.0036 .0030
	H7 .0557 .3501 .2450 .050
	H8 .1151 .1590 .2798 .041
	O5W .55840 .03488 .30787 .02032 .0167 .0151 .0280 .0017 -.0023 -.0065
	H9 .5335 -.0323 .26853 .052
	H10 .6852 .0066 .3179 .035
	O6W .30351 .21837 .43568 .0246 .0355 .0213 .0204 -.0129 .0119 -.0045
	H11 .2268 .2800 .4709 .062
	H12 .2879 .0979 .4391 .047
	O7W .66570 .37782 .38786 .0254 .0282 .0267 .0249 -.0176 -.0096 .0065
	H13 .6857 .3257 .43686 .057
	H14 .7325 .4714 .3816 .052
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