Quenstedtite Mereiter K ICSD Communications 2020 (2020) DOI: 10.25505/fiz.icsd.cc25lg8j Experimental crystal structure determination Locality: Tierra Amarilla, Chile _database_code_amcsd 0020888 6.1800 23.583 6.5400 94.140 101.680 96.350 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 .14137 .11476 .33701 .01515 .01583 .0178 .01257 .00393 .00322 .00298 Fe2 .53182 .38163 .75681 .01317 .01326 .01402 .01203 .00083 .00270 .00127 S1 .44551 .07694 .76219 .01462 .0169 .0161 .0115 .0038 .0034 .0019 O1 .3290 .03027 .8493 .0301 .0461 .0196 .0279 -.0029 .0199 .0020 O2 .5599 .12114 .9283 .0279 .0230 .0329 .0235 -.0019 .0023 -.0105 O3 .6002 .05529 .6442 .0266 .0330 .0269 .0267 .0113 .0177 .0045 O4 .2738 .10345 .6216 .0321 .0344 .0487 .0167 .0223 .0025 .0085 S2 .26355 .28108 .95800 .01393 .0154 .0134 .0135 .0019 .0040 .0022 O5 .0775 .31377 .9684 .0264 .0230 .0351 .0256 .0147 .0082 .0080 O6 .4058 .28355 .1664 .0244 .0248 .0302 .0166 .0090 -.0018 .0008 O7 .1877 .22156 .8723 .0262 .0414 .0146 .0209 -.0069 .0081 .0020 O8 .3923 .30668 .8078 .0234 .0299 .0175 .0253 -.0011 .0141 .0021 S3 .87177 .42671 .20906 .01386 .0161 .0141 .0116 .0012 .0035 .0021 O9 .7713 .47237 .3026 .0310 .0481 .0216 .0334 .0144 .0250 .0069 O10 .9462 .38796 .3656 .0243 .0241 .0323 .0202 .0100 .0065 .0133 O11 .0548 .44950 .1178 .0266 .0321 .0223 .0285 -.0045 .0185 .0003 O12 .6980 .39214 .0420 .0330 .0289 .0464 .0168 -.0066 -.0036 -.0006 O13 .0101 .13265 .0446 .0210 .0196 .0246 .0174 -.0016 .0010 .0078 H13A .0641 .1611 -.0017 .025 H13B -.1254 .1286 .001 .025 O14 .0556 .18620 .4552 .0269 .0362 .0271 .0182 .0151 .0025 -.0002 H14A .082 .1983 .5797 .032 H14B -.0200 .2078 .3882 .032 O15 .2053 .03927 .2111 .0266 .0409 .0244 .0215 .0159 .0149 .0079 H15A .2579 .0427 .1064 .032 H15B .2666 .0152 .2780 .032 O16 .4277 .15317 .2895 .0305 .0236 .0396 .0261 -.0067 .0099 -.0079 H16A .4836 .1502 .1862 .037 H16B .5118 .1760 .3792 .037 O17 -.1574 .07277 .3479 .0270 .0279 .0258 .0294 -.0060 .0181 -.0034 H17A -.194 .04009 .2899 .032 H17B -.2290 .0771 .4395 .032 O18 .6674 .45735 .6799 .0251 .0346 .0195 .0207 -.0088 .0123 -.0013 H18A .680 .4599 .5581 .030 H18B .7590 .4818 .7558 .030 O19 .3754 .36958 .4514 .0216 .0187 .0284 .0166 .0096 -.0012 -.0023 H19A .3881 .3419 .3730 .026 H19B .2474 .3773 .419 .026 O20 .2810 .42308 .8161 .0236 .0305 .0212 .0275 .0111 .0185 .0099 H20A .262 .45486 .7776 .028 H20B .2171 .4181 .9130 .028 O21 .7690 .34071 .6584 .0212 .0170 .0292 .0208 .0071 .0073 .0092 H21A .8708 .3336 .7509 .025 H21B .8231 .3537 .5642 .025 O22 .6372 .21392 .6317 .0463 .0543 .0340 .0462 -.0029 .0078 -.0038 H22A .617 .2025 .7427 .056 H22B .633 .24866 .6384 .056 O23 .8267 .24963 .2152 .0465 .0345 .0530 .0676 .0245 .0252 .0404 H23A .8961 .2721 .1542 .056 H23B .7061 .2608 .2182 .056