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Heulandite |
 |
Wust T, Stolz J, Armbruster T |
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American Mineralogist 84 (1999) 1126-1134 |
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Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
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Sample: REE293 |
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Tetrahedral sites were refined as Si |
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_database_code_amcsd 0002251 |
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17.649 17.980 7.412 90 116.22 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .17734 .32961 .0917 .0159 .0283 .0181 -.0002 .0086 -.0010 |
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Si2 .28418 .41088 .4894 .0268 .0215 .0260 -.0006 .0141 -.0007 |
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Si3 .29145 .19068 .2853 .0227 .0243 .0171 -.0017 .0107 -.0001 |
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Si4 .43161 .29831 .5786 .0175 .0300 .0178 .0002 .0076 -.0002 |
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Si5 0 .2771 0 .0159 .0344 .0179 0 .0067 0 |
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Al1 0 .4221 0 .120 1.7 |
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Al2 .488 0 .556 .13 3.6 |
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Al3 .205 .5 .199 .08 3.0 |
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NaB .468 .5 .771 .39 11.0 |
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O1 .2985 .5 .5263 .049 .022 .047 0 .021 0 |
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O2 .2644 .1219 .3841 .059 .039 .050 .000 .040 .009 |
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O3 .3131 .1556 .1120 .062 .049 .033 .000 .034 -.002 |
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O4 .2253 .3965 .2459 .047 .041 .028 -.009 .010 -.009 |
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O5 .5 .3208 .5 .052 .059 .062 0 .046 0 |
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O6 .0785 .3327 .0409 .018 .041 .056 .000 .016 .007 |
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O7 .3755 .2295 .4533 .048 .050 .047 -.018 .003 -.017 |
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O8 .0179 .2246 .1894 .048 .058 .026 -.006 .008 .011 |
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O9 .2150 .2501 .1882 .035 .037 .050 .013 .022 .012 |
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O10 .3765 .3711 .5591 .032 .040 .067 .011 .021 .002 |
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WatA1 .369 0 .348 .51 8.4 |
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WatA2 .390 0 .51 .28 15.79 |
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WatA3 .402 0 .235 .39 15.79 |
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WatA4 .398 0 .061 .17 6.5 |
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WatA5 .433 0 .788 .47 15.0 |
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WatA6 .560 0 .036 .47 13.9 |
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WatA8 .496 .091 .583 .37 11.9 |
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WatA9 .478 .072 .707 .27 11.3 |
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WatB1 .3930 .411 .097 .39 13.8 |
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WatBb .436 .430 .001 .47 15.79 |
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WatB2 .512 .5 .564 .55 11.1 |
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WatB3 .406 .5 .059 .14 3.7 |
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WatC2 .212 0 -.014 .64 9.5 |
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WatC3 .2582 0 .089 .52 3.0 |
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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
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Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: REE100 |
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Tetrahedral sites were refined as Si |
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_database_code_amcsd 0002252 |
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17.611 17.933 7.398 90 116.29 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .17760 .33000 .0926 .0135 .0277 .0160 .0006 .0080 -.0008 |
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Si2 .28447 .41110 .4904 .0245 .0211 .0244 -.0011 .0134 -.0010 |
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Si3 .29189 .19069 .2854 .0196 .0229 .0147 -.0011 .0095 .0003 |
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Si4 .43213 .29855 .5794 .0158 .0294 .0167 .0005 .0075 .0003 |
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Si5 0 .27754 0 .0144 .0349 .0166 0 .0060 0 |
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Al1 0 .4225 0 .119 1.6 |
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Al2 .489 0 .550 .109 2.2 |
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Al3 .203 .5 .200 .074 2.2 |
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Nab .466 .5 .767 .38 10.1 |
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O1 .2988 .5 .5280 .050 .022 .044 0 .022 0 |
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O2 .2652 .1218 .3846 .057 .039 .048 .001 .040 .010 |
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O3 .1863 .3447 -.1126 .060 .049 .031 .005 .034 .001 |
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O4 .2267 .3971 .2460 .048 .041 .026 -.012 .010 -.009 |
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O5 .5 .3227 .5 .053 .064 .063 0 .049 0 |
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O6 .0789 .3336 .0451 .016 .041 .054 .001 .016 .009 |
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O7 .3760 .2298 .4535 .046 .053 .043 -.017 .001 -.016 |
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O8 .4839 .2752 .8118 .049 .058 .025 -.008 .008 .012 |
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O9 .2153 .2498 .1891 .029 .033 .045 .010 .020 .011 |
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O10 .3767 .3710 .5630 .031 .040 .069 .010 .021 .002 |
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WatA1 .373 0 .369 .56 8.1 |
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WatA2 .444 0 .62 .15 15.79 |
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WatA3 .400 0 .242 .43 15.79 |
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WatA4 .395 0 .067 .15 4.4 |
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WatA5 .440 0 .812 .49 12.7 |
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WatA6 .563 0 .025 .41 12.5 |
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WatA8 .496 .091 .591 .35 10.42 |
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WatA9 .476 .076 .716 .16 4.7 |
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WatB1 .395 .411 .105 .31 13.0 |
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WatBb .433 .430 .006 .46 15.79 |
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WatB2 .511 .5 .561 .55 10.1 |
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WatB3 .409 .5 .076 .12 2.3 |
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WatC2 .215 0 -.008 .65 8.0 |
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WatC3 .258 0 .085 .39 3.0 |
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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
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| |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
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Sample: DEHY323 |
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Tetrahedral sites were refined as Si |
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_database_code_amcsd 0002253 |
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17.583 17.695 7.408 90 116.52 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .17822 .33236 .0912 .0147 .0357 .0186 .0009 .0078 -.0013 |
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Si2 .28602 .41093 .4940 .0273 .0260 .0268 .0003 .0133 .0000 |
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Si3 .29190 .19000 .2828 .0236 .0301 .0174 -.0006 .0109 .0009 |
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Si4 .43360 .29733 .5820 .0184 .0351 .0188 .0020 .0081 .0006 |
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Si5 0 .2813 0 .0162 .0420 .0178 0 .0057 0 |
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Al1 0 .4210 0 .12 2.1 |
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Al2 .489 0 .550 .13 3.7 |
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Al3 .235 .5 .178 .033 2.37 |
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NaB .462 .5 .724 .19 8.01 |
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O1 .3019 .5 .5391 .064 .030 .051 0 .022 0 |
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O2 .2645 .1217 .3843 .070 .057 .064 .007 .050 .021 |
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O3 .3144 .1508 .1146 .057 .060 .035 .014 .032 .005 |
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O4 .2304 .3977 .2497 .040 .052 .033 -.010 .010 -.008 |
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O5 .5 .3217 .5 .074 .087 .074 0 .065 0 |
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O6 .0799 .3374 .0499 .018 .042 .047 .001 .014 .001 |
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O7 .3757 .2298 .4517 .054 .062 .054 -.011 .000 -.021 |
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O8 .0141 .2284 .1878 .049 .066 .028 -.003 .008 .013 |
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O9 .2153 .2497 .1797 .033 .041 .043 .011 .022 .008 |
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O10 .3792 .3713 .5719 .035 .054 .066 .015 .015 -.001 |
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WatA1 .373 0 .380 .12 4.9 |
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WatA3 .391 0 .296 .12 4.1 |
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WatA4 .418 0 .100 .12 12.2 |
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WatA6 .076 .5 .047 .25 5.92 |
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WatA8 .505 .089 .620 .10 5.5 |
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WatA9 .473 .080 .710 .15 4.7 |
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WatB2 .525 .5 .612 .32 15.79 |
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WatB3 .410 .5 .079 .17 2.3 |
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WatC2 .224 0 .034 .30 4.2 |
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WatC3 .259 0 .083 .22 2.9 |
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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
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| |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: DEHY378 |
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_database_code_amcsd 0002254 |
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17.608 17.656 7.414 90 116.42 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .17810 .33296 .0907 .0160 .0414 .0210 .0006 .0081 -.0021 |
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Si2 .28613 .41108 .4939 .0298 .0282 .0280 .0003 .0133 .0007 |
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Si3 .29161 .18976 .2820 .0271 .0358 .0204 .0001 .0129 .0017 |
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Si4 .06675 .20343 .4196 .0204 .0409 .0201 .0029 .0087 .0007 |
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Si5 0 .2810 0 .0176 .0460 .0180 0 .0055 0 |
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Al1 0 .421 0 .10 2.6 |
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Al2 .490 0 .555 .08 3.5 |
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Al3 .229 .5 .180 .026 2.37 |
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NaB .481 .5 .660 .13 14.0 |
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O1 .3022 .5 .5402 .071 .034 .048 0 .018 0 |
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O2 .2628 .1220 .3823 .077 .069 .071 .007 .054 .026 |
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O3 .3126 .1494 .1124 .057 .064 .034 .011 .029 .005 |
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O4 .2285 .3996 .2485 .038 .061 .037 -.010 .009 -.010 |
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O5 0 .1788 .5 .076 .097 .086 0 .068 0 |
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O6 .0795 .3370 .0462 .019 .048 .051 0 .014 0 |
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O7 .1238 .2721 .5499 .057 .067 .058 -.010 .003 -.024 |
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O8 .0160 .2280 .1892 .053 .069 .033 -.004 .006 .013 |
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O9 .2164 .2510 .1809 .038 .050 .047 .014 .026 .010 |
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O10 .1220 .1297 .4358 .039 .062 .065 .016 .013 -.005 |
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WatA1 .371 0 .37 .10 5.8 |
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WatA3 .392 0 .31 .03 0.1 |
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WatA4 .410 0 .12 .10 9.8 |
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WatA6 .073 .5 .049 .18 5.2 |
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WatA9 .479 .081 .696 .14 6.7 |
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WatB2 .5 .5 .5 .16 15.79 |
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WatB3 .411 .5 .083 .09 1.8 |
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WatC2 .232 0 .049 .18 1.2 |
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WatC3 .266 0 .10 .26 4.7 |
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WatC33 .231 .5 -.01 .08 3.95 |
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WatC4 .284 0 .23 .17 2.2 |
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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
|
| |
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