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Wairakite |
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Takeuchi Y, Mazzi F, Haga N, Galli E |
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American Mineralogist 64 (1979) 993-1001 |
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The crystal structure of wairakite |
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_database_code_amcsd 0000740 |
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13.692 13.643 13.560 90 90.5 90 I2/a |
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atom x y z occ Biso |
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Na11 .1318 .9997 .2561 .042 3.70 |
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Na12a .25 .1203 0 .034 2.20 |
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Na12b .75 .3763 0 .041 3.90 |
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Ca2 .0115 .2474 .1160 .899 1.79 |
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Na2 .0115 .2474 .1160 .059 1.79 |
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Si11a .1122 .1580 .4175 .93 0.48 |
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Al11a .1122 .1580 .4175 .07 0.48 |
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Si11b .8714 .3381 .4056 .95 0.54 |
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Al11b .8714 .3381 .4056 .05 0.54 |
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Si12a .4221 .1310 .1599 .95 0.52 |
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Al12a .4221 .1310 .1599 .05 0.52 |
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Si12b .5971 .3728 .1682 .95 0.61 |
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Al12b .5971 .3728 .1682 .05 0.61 |
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Si2a .1753 .4112 .1370 .16 0.54 |
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Al2a .1753 .4112 .1370 .84 0.54 |
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Si2b .8474 .0856 .1176 .16 0.53 |
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Al2b .8474 .0856 .1176 .84 0.53 |
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O11a .1099 .3484 .2274 1.25 |
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O11b .9095 .1464 .2139 1.20 |
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O12a .3834 .1376 .4660 1.16 |
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O12b .5983 .3501 .4791 1.02 |
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O21a .2029 .1165 .3575 1.54 |
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O21b .7763 .3999 .3796 1.45 |
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O22a .1282 .4626 .3863 1.41 |
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O22b .8355 .0357 .3548 1.34 |
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O31a .3976 .2243 .0891 1.53 |
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O31b .6444 .2780 .1144 1.55 |
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O32a .4868 .3896 .1280 1.65 |
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O32b .5405 .1218 .1639 1.46 |
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Wat1 .1344 .1264 .1348 5.04 |
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Watb .8858 .3703 .1169 4.12 |
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| Download AMC data (View Text File)
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Wairakite |
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Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A |
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European Journal of Mineralogy 15 (2003) 475-484 |
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High-temperature crystal structure of wairakite |
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Sample: Wai-20, T = 20 C |
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_database_code_amcsd 0006990 |
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13.666 13.623 13.531 90 90.50 90 I2/a |
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atom x y z occ Uiso |
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CaM2 .01193 .24673 .11485 .959 .0255 |
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NaM2 .01193 .24673 .11485 .041 .0255 |
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SiT11A .11226 .15742 .41763 .0074 |
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SiT11B .87163 .33854 .40589 .0093 |
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SiT12A .42243 .13119 .15962 .0086 |
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SiT12B .59705 .37346 .16780 .0089 |
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AlT2A .17585 .41138 .13758 .0087 |
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AlT2B .84746 .08517 .11737 .0076 |
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O11A .1096 .3467 .2278 .0152 |
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O11B .9093 .1461 .2135 .0166 |
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O12A .3829 .1374 .4660 .0167 |
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O12B .5983 .3498 .4796 .0131 |
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O21A .2014 .1169 .3564 .0201 |
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O21B .7760 .4009 .3800 .0174 |
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O22A .1281 .4620 .3866 .0178 |
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O22B .8353 .0353 .3540 .0169 |
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O31A .3995 .2236 .0893 .0209 |
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O31B .6446 .2788 .1150 .0211 |
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O32A .4874 .3901 .1279 .0195 |
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O32B .5405 .1214 .1638 .0229 |
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WatA .1352 .1282 .1361 .95 .077 |
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WatB .8872 .3726 .1156 .87 .072 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Wairakite |
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Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A |
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European Journal of Mineralogy 15 (2003) 475-484 |
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High-temperature crystal structure of wairakite |
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Sample: Wai-170, T = 170 C |
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_database_code_amcsd 0006991 |
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13.712 13.712 13.681 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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NaM1 .1218 0 1/4 .03 .051 |
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CaM2 0 1/4 1/8 .928 .0355 |
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SiT1 .12073 .16198 .41366 .0125 |
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AlT2 .16264 .41264 1/8 .0123 |
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O1 .10301 .35191 .22066 .0231 |
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O2 .21462 .10635 .37673 .0303 |
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O3 .37198 .22138 .10178 .0345 |
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Wat .1231 .1269 1/8 .0943 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Wairakite |
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Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A |
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European Journal of Mineralogy 15 (2003) 475-484 |
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High-temperature crystal structure of wairakite |
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Sample: Wai-210, T = 210 C |
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_database_code_amcsd 0006992 |
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13.713 13.713 13.687 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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NaM1 .1263 0 1/4 .04 .060 |
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CaM2 0 1/4 1/8 .922 .0378 |
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SiT1 .12073 .16202 .41367 .0130 |
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AlT2 .16263 .41263 1/8 .0128 |
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O1 .10304 .35175 .22073 .0240 |
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O2 .21462 .10642 .37686 .0315 |
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O3 .37197 .22126 .10174 .0360 |
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Wat .1231 .1269 1/8 .100 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Wairakite |
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Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A |
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European Journal of Mineralogy 15 (2003) 475-484 |
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High-temperature crystal structure of wairakite |
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Sample: Wai-400, T = 400 C |
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_database_code_amcsd 0006993 |
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13.662 13.662 13.555 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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CaM21 .0193 .2307 1/8 .238 .0595 |
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CaM22 .0320 .2180 1/8 .235 .0452 |
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SiT1 .12024 .16414 .41459 .0186 |
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AlT2 .16080 .41080 1/8 .0182 |
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O1 .1034 .3450 .2207 .0347 |
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O2 .2179 .1118 .3829 .0413 |
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O3 .3750 .2183 .0962 .0455 |
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Wat .1454 .1046 1/8 .31 .184 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Wairakite |
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Seryotkin Y V, Joswig W, Bakakin V V, Belitsky I A, Fursenko B A |
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European Journal of Mineralogy 15 (2003) 475-484 |
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High-temperature crystal structure of wairakite |
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Sample: Wai-600, T = 600 C |
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_database_code_amcsd 0006994 |
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13.645 13.645 13.515 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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CaM22 .0280 .2220 1/8 .324 .0716 |
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CaM23 .0087 .2587 1/8 .155 .148 |
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SiT1 .12007 .16420 .41447 .0252 |
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AlT2 .16113 .41113 1/8 .0247 |
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O1 .1044 .3437 .2208 .0472 |
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O2 .2181 .1125 .3834 .0545 |
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O3 .3759 .2179 .0946 .0580 |
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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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Wairakite |
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Henderson C M B, Bell A M T, Kohn S C, Page C S |
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Mineralogical Magazine 62 (1998) 165-178 |
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Leucite-pollucite structure-type variability and the structure of a |
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synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O)) |
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_database_code_amcsd 0014533 |
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13.694 13.644 13.576 90. 90.46 90 I2/a |
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atom x y z occ Biso |
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Ca12A .25 .127 0 .2425 2.9 |
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Ca12B .75 .385 0 .1975 2.9 |
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Ca2 .011 .248 .118 .78 2.9 |
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Al2A .170 .416 .139 .29 |
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Al2B .844 .088 .119 .29 |
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Si11A .117 .155 .419 .29 |
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Si11B .877 .341 .407 .29 |
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Si12A .423 .130 .153 .29 |
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Si12B .591 .367 .164 .29 |
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O11A .110 .350 .231 .32 |
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O11B .907 .138 .217 .32 |
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O12A .385 .138 .462 .32 |
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O12B .599 .355 .477 .32 |
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O21A .208 .116 .352 .32 |
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O21B .777 .394 .374 .32 |
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O22A .128 .466 .397 .32 |
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O22B .834 .045 .362 .32 |
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O31A .387 .224 .084 .32 |
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O31B .645 .277 .112 .32 |
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O32A .477 .385 .141 .32 |
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O32B .545 .111 .170 .32 |
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WatA .137 .116 .134 .32 |
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WatB .880 .381 .112 .32 |
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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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