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Quenstedtite |
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Thomas J N, Robinson P D, Fang J H |
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American Mineralogist 59 (1974) 582-586 |
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Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. |
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The crystal structure of quenstedtite |
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Locality: Chile |
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_database_code_amcsd 0000409 |
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6.184 23.60 6.539 94.18 101.73 96.27 P-1 |
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atom x y z Biso |
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Fe1 .1411 .1146 .3365 3.05 |
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Fe2 .4684 .6182 .2434 3.05 |
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S1 .2633 .2813 .9573 1.4 |
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S2 .1281 .5732 .7901 1.3 |
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S3 .4462 .0771 .7623 1.4 |
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O1 .084 .3136 .972 2.3 |
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O2 .408 .2843 .164 2.6 |
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O3 .186 .2210 .871 2.5 |
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O4 .393 .3072 .810 2.2 |
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O5 .229 .5288 .701 2.7 |
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O6 .059 .6112 .637 2.4 |
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O7 .051 .4498 .119 2.0 |
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O8 .301 .6071 .960 2.9 |
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O9 .334 .0316 .852 2.8 |
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O10 .439 .8790 .072 2.5 |
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O11 .400 .9444 .356 2.5 |
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O12 .274 .1022 .620 2.7 |
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Wat1 .052 .1860 .453 2.4 |
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Wat2 .431 .1533 .292 2.9 |
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Wat3 .010 .1325 .045 2.0 |
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Wat4 .200 .0390 .210 2.3 |
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Wat5 .160 .9277 .653 2.2 |
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Wat6 .283 .4228 .817 2.4 |
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Wat7 .232 .6591 .343 1.8 |
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Wat8 .372 .3699 .449 2.2 |
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Wat9 .333 .5419 .322 2.7 |
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Wat10 .366 .7854 .370 3.9 |
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Wat11 .179 .7506 .794 3.6 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Quenstedtite |
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Mereiter K |
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ICSD Communications 2020 (2020) DOI: 10.25505/fiz.icsd.cc25lg8j |
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Experimental crystal structure determination |
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Locality: Tierra Amarilla, Chile |
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_database_code_amcsd 0020888 |
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6.1800 23.583 6.5400 94.140 101.680 96.350 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .14137 .11476 .33701 .01515 .01583 .0178 .01257 .00393 .00322 .00298 |
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Fe2 .53182 .38163 .75681 .01317 .01326 .01402 .01203 .00083 .00270 .00127 |
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S1 .44551 .07694 .76219 .01462 .0169 .0161 .0115 .0038 .0034 .0019 |
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O1 .3290 .03027 .8493 .0301 .0461 .0196 .0279 -.0029 .0199 .0020 |
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O2 .5599 .12114 .9283 .0279 .0230 .0329 .0235 -.0019 .0023 -.0105 |
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O3 .6002 .05529 .6442 .0266 .0330 .0269 .0267 .0113 .0177 .0045 |
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O4 .2738 .10345 .6216 .0321 .0344 .0487 .0167 .0223 .0025 .0085 |
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S2 .26355 .28108 .95800 .01393 .0154 .0134 .0135 .0019 .0040 .0022 |
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O5 .0775 .31377 .9684 .0264 .0230 .0351 .0256 .0147 .0082 .0080 |
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O6 .4058 .28355 .1664 .0244 .0248 .0302 .0166 .0090 -.0018 .0008 |
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O7 .1877 .22156 .8723 .0262 .0414 .0146 .0209 -.0069 .0081 .0020 |
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O8 .3923 .30668 .8078 .0234 .0299 .0175 .0253 -.0011 .0141 .0021 |
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S3 .87177 .42671 .20906 .01386 .0161 .0141 .0116 .0012 .0035 .0021 |
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O9 .7713 .47237 .3026 .0310 .0481 .0216 .0334 .0144 .0250 .0069 |
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O10 .9462 .38796 .3656 .0243 .0241 .0323 .0202 .0100 .0065 .0133 |
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O11 .0548 .44950 .1178 .0266 .0321 .0223 .0285 -.0045 .0185 .0003 |
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O12 .6980 .39214 .0420 .0330 .0289 .0464 .0168 -.0066 -.0036 -.0006 |
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O13 .0101 .13265 .0446 .0210 .0196 .0246 .0174 -.0016 .0010 .0078 |
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H13A .0641 .1611 -.0017 .025 |
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H13B -.1254 .1286 .001 .025 |
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O14 .0556 .18620 .4552 .0269 .0362 .0271 .0182 .0151 .0025 -.0002 |
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H14A .082 .1983 .5797 .032 |
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H14B -.0200 .2078 .3882 .032 |
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O15 .2053 .03927 .2111 .0266 .0409 .0244 .0215 .0159 .0149 .0079 |
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H15A .2579 .0427 .1064 .032 |
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H15B .2666 .0152 .2780 .032 |
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O16 .4277 .15317 .2895 .0305 .0236 .0396 .0261 -.0067 .0099 -.0079 |
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H16A .4836 .1502 .1862 .037 |
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H16B .5118 .1760 .3792 .037 |
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O17 -.1574 .07277 .3479 .0270 .0279 .0258 .0294 -.0060 .0181 -.0034 |
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H17A -.194 .04009 .2899 .032 |
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H17B -.2290 .0771 .4395 .032 |
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O18 .6674 .45735 .6799 .0251 .0346 .0195 .0207 -.0088 .0123 -.0013 |
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H18A .680 .4599 .5581 .030 |
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H18B .7590 .4818 .7558 .030 |
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O19 .3754 .36958 .4514 .0216 .0187 .0284 .0166 .0096 -.0012 -.0023 |
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H19A .3881 .3419 .3730 .026 |
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H19B .2474 .3773 .419 .026 |
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O20 .2810 .42308 .8161 .0236 .0305 .0212 .0275 .0111 .0185 .0099 |
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H20A .262 .45486 .7776 .028 |
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H20B .2171 .4181 .9130 .028 |
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O21 .7690 .34071 .6584 .0212 .0170 .0292 .0208 .0071 .0073 .0092 |
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H21A .8708 .3336 .7509 .025 |
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H21B .8231 .3537 .5642 .025 |
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O22 .6372 .21392 .6317 .0463 .0543 .0340 .0462 -.0029 .0078 -.0038 |
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H22A .617 .2025 .7427 .056 |
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H22B .633 .24866 .6384 .056 |
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O23 .8267 .24963 .2152 .0465 .0345 .0530 .0676 .0245 .0252 .0404 |
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H23A .8961 .2721 .1542 .056 |
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H23B .7061 .2608 .2182 .056 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Quenstedtite |
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Westland R E |
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Master's Thesis, Queen's University 2012 (2012) 1-161 |
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New phases in the hydrous ferric sulfate system, a supporting argument that |
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the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure |
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refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite |
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Locality: Alcaparossa, Chile |
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_database_code_amcsd 0021045 |
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6.1741 23.5062 6.5282 85.633 101.553 83.745 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .0320 .1185 .2559 .016 .019 .016 .013 -.003 .004 -.001 |
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Fe(2) .6387 .3855 .8352 .016 .016 .019 .015 -.004 .003 -.002 |
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S(1) -.2375 .2191 .4566 .017 .023 .015 .013 -.004 .005 -.002 |
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O(1) -.1102 .1936 .3045 .022 .032 .015 .022 0 .015 -.001 |
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O(2) -.0937 .2162 .6655 .023 .034 .024 .012 -.010 .004 -.003 |
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O(3) -.4248 .1861 .4678 .021 .010 .030 .025 -.009 .003 -.004 |
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O(4) -.3127 .2789 .3717 .021 .029 .015 .017 .004 .008 0 |
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S(2) .3718 .0737 .7096 .014 .011 .018 .015 -.001 .003 -.001 |
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O(5) .1974 .1085 .5435 .026 .031 .030 .012 .004 -.001 -.001 |
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O(6) .2686 .0277 .8041 .026 .040 .017 .026 -.010 .016 -.004 |
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O(7) .5514 .0504 .6153 .021 .023 .020 .021 0 .007 -.003 |
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O(8) .4474 .1124 .8669 .022 .030 .025 .014 -.009 .007 -.010 |
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S(3) .9446 .4226 1.2613 .016 .019 .018 .013 -.004 .004 -.001 |
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O(9) .7676 .3972 1.1214 .024 .007 .040 .024 -.009 -.003 -.005 |
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O(10) 1.0586 .3773 1.4258 .021 .009 .026 .024 .003 .001 .007 |
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O(11) 1.0979 .4444 1.1408 .023 .029 .023 .021 -.011 .011 -.002 |
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O(12) .8332 .4697 1.3525 .027 .043 .019 .021 -.001 .015 -.001 |
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O(1W) -.1236 .1299 -.0499 .021 .030 .023 .012 -.011 .003 .003 |
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O(2W) .1705 .0429 .1819 .024 .038 .020 .016 .002 .012 .001 |
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O(3W) -.2159 .0770 .3168 .018 .007 .023 .027 -.002 .006 -.006 |
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O(4W) .2688 .1602 .1572 .018 .007 .023 .027 -.002 .006 -.006 |
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O(5W) .3394 .4269 .8441 .024 .015 .031 .024 .005 .008 .007 |
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O(6W) .5083 .3682 .5424 .019 .023 .021 .014 -.001 .005 -.007 |
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O(7W) .9242 .3477 .7885 .024 .015 .031 .024 .005 .008 .007 |
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O(8W) .5565 .3134 .9534 .023 .025 .028 .014 -.013 -.002 .002 |
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O(9W) .7028 .4617 .7105 .027 .049 .021 .017 -.018 .013 -.008 |
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O(10W) .3218 .2514 .7079 .035 .026 .040 .050 -.014 .020 -.025 |
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O(11W) .1390 .2871 .1328 .036 .034 .034 .036 .002 .006 .001 |
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H(1WA) -.1190 .1554 -.1380 .026 |
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H(1WB) -.2510 .1220 -.0690 .026 |
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H(2WA) .1980 .0380 .0670 .029 |
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H(2WB) .2370 .0152 .2620 .029 |
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H(3WA) -.3290 .0829 .3610 .022 |
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H(3WB) -.2150 .0431 .2860 .022 |
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H(4WA) .3750 .1701 .2460 .022 |
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H(4WB) .3460 .1424 .0830 .022 |
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H(5WA) .2830 .4572 .7680 .029 |
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H(5WB) .2460 .4218 .9160 .029 |
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H(6WA) .5620 .3404 .4960 .023 |
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H(6WB) .3710 .3711 .5010 .023 |
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H(7WA) 1.0180 .3249 .8710 .029 |
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H(7WB) 1.0000 .3570 .6990 .029 |
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H(8WA) .4630 .2970 .8860 .027 |
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H(8WB) .5850 .2990 1.0740 .027 |
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H(9WA) .7490 .4610 .6000 .032 |
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H(9WB) .7580 .4879 .7690 .032 |
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H(10A) .4080 .2290 .6650 .042 |
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H(10B) .2060 .2370 .7010 .042 |
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H(11A) .1440 .2507 .1500 .043 |
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H(11B) .1180 .2959 .2540 .043 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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