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Mutinaite |
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van Koningsveld H |
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Acta Crystallographica B46 (1990) 731-735 |
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High-temperature (350 K) orthorhombic framework structure of zeolite H-ZSM-5 |
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Locality: synthetic |
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Note: anisotropic thermal parameters obtained from ICSD |
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_database_code_amcsd 0009842 |
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20.078 19.894 13.372 90 90 90 Pnma |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .42292 .05678 .66492 .0130 .0140 .0179 .0011 -.0016 -.0003 |
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Si2 .30840 .02897 .81293 .0166 .0166 .0180 -.0001 .0041 -.0003 |
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Si3 .27919 .06191 .03257 .0170 .0159 .0178 .0014 -.0007 -.0043 |
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Si4 .12228 .06397 .02834 .0164 .0146 .0143 .0000 .0012 -.0015 |
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Si5 .07168 .02825 .81584 .0127 .0134 .0152 -.0010 .0025 -.0006 |
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Si6 .18703 .05906 .67398 .0161 .0160 .0182 .0001 .0050 .0039 |
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Si7 .42346 .82787 .67664 .0133 .0106 .0183 .0010 .0019 .0012 |
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Si8 .30861 .87080 .81794 .0175 .0153 .0161 -.0005 .0026 -.0009 |
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Si9 .27417 .82731 .03341 .0168 .0099 .0166 -.0018 -.0005 -.0001 |
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Si10 .11963 .82675 .02992 .0172 .0112 .0168 .0019 -.0004 .0005 |
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Si11 .07045 .87019 .81795 .0126 .0146 .0178 .0006 -.0007 .0017 |
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Si12 .18803 .82715 .68326 .0178 .0131 .0189 -.0008 .0034 -.0017 |
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O1 .3725 .0555 -.2437 .024 .065 .044 -.009 .017 -.003 |
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O2 .3093 .0594 -.0776 .044 .046 .022 -.008 .008 -.009 |
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O3 .2007 .0595 .0284 .017 .070 .074 .002 .001 -.013 |
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O4 .0953 .0633 -.0831 .063 .032 .024 -.005 -.013 -.002 |
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O5 .1160 .0541 -.2747 .022 .050 .028 -.001 .011 .017 |
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O6 .2433 .0533 -.2435 .030 .072 .041 .011 -.009 .006 |
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O7 .3741 -.1566 -.2335 .028 .063 .034 .009 .014 -.004 |
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O8 .3085 -.1559 -.0699 .038 .062 .026 .003 .009 .016 |
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O9 .1969 -.1545 .0271 .018 .031 .063 .000 .003 .005 |
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O10 .0887 -.1629 -.0781 .057 .048 .034 -.007 -.017 .019 |
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O11 .1176 -.1576 -.2672 .025 .051 .047 .007 .011 -.014 |
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O12 .2448 -.1556 -.2388 .027 .075 .050 -.010 -.010 -.008 |
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O13 .3087 -.0499 -.1822 .111 .015 .072 .002 .002 .000 |
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O14 .0786 -.0510 -.1728 .050 .015 .063 .003 -.004 .001 |
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O15 .4175 .1269 -.3908 .046 .016 .052 .002 -.023 .011 |
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O16 .4079 -.0021 -.4120 .065 .026 .038 -.003 -.015 -.008 |
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O17 .4006 -.1329 -.4221 .057 .021 .028 .004 -.011 .009 |
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O18 .1913 .1302 -.3801 .046 .021 .037 -.001 .013 .008 |
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O19 .1944 .0004 -.4062 .064 .028 .046 .008 .004 -.013 |
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O20 .1965 -.1297 -.4158 .072 .022 .031 -.010 .013 .009 |
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O21 -.0035 .0490 -.2077 .016 .043 .032 .007 .002 .000 |
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O22 -.0045 -.1490 -.2104 .019 .052 .031 -.008 .001 .001 |
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O23 .4227 -.25 -.3491 .062 .010 .040 0 -.004 0 |
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O24 .1924 -.25 -.3480 .051 .014 .037 0 .015 0 |
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O25 .2841 -.25 .0596 .039 .012 .034 0 -.009 0 |
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O26 .1100 -.25 .0620 .044 .012 .027 0 .001 0 |
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Mutinaite |
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Taylor J C, Miller S A, Bibby D M |
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Zeitschrift fur Kristallographie 176 (1986) 183-192 |
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A study of decomposition methods for refinement of H+-ZSM5 zeolite |
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with powder diffraction data |
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Locality: synthetic |
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Note: dehydrated mutinaite |
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_database_code_amcsd 0010960 |
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20.108 19.918 13.392 90 90 90 Pnma |
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atom x y z Biso |
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Si1 .4264 .0581 -.3396 1.2 |
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Si2 .3096 .0297 -.1814 1.2 |
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Si3 .2755 .0603 .0350 1.2 |
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Si4 .1198 .0617 .0287 1.2 |
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Si5 .0699 .0253 -.1862 1.2 |
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Si6 .1884 .0593 -.3273 1.2 |
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Si7 .4263 -.1707 -.3284 1.2 |
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Si8 .3138 -.1280 -.1759 1.2 |
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Si9 .2697 -.1752 .0366 1.2 |
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Si10 .1186 -.1744 .0356 1.2 |
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Si11 .0728 -.1288 -.1786 1.2 |
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Si12 .1929 -.1734 -.3098 1.2 |
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O1 .3733 .0565 -.2449 2.2 |
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O2 .3090 .0604 -.0728 2.2 |
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O3 .1977 .0488 .0212 2.2 |
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O4 .0949 .0589 -.0850 2.2 |
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O5 .1208 .0560 -.2668 2.2 |
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O6 .2421 .0569 -.2405 2.2 |
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O7 .3777 -.1534 -.2264 2.2 |
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O8 .3076 -.1623 -.0720 2.2 |
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O9 .1933 -.1568 .0359 2.2 |
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O10 .0926 -.1579 -.0743 2.2 |
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O11 .1241 -.1531 -.2635 2.2 |
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O12 .2498 -.1554 -.2356 2.2 |
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O13 .2994 -.0495 -.1728 2.2 |
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O14 .0804 -.0525 -.1670 2.2 |
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O15 .4207 .1275 -.3816 2.2 |
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O16 .4050 .0018 -.4180 2.2 |
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O17 .3974 -.1315 -.4268 2.2 |
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O18 .1893 .1288 -.3762 2.2 |
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O19 .2001 -.0003 -.4029 2.2 |
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O20 .2016 -.1277 -.4119 2.2 |
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O21 -.0038 .0463 -.2139 2.2 |
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O22 -.0004 -.1504 -.2077 2.2 |
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O23 .4237 -.25 -.3436 2.2 |
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O24 .2001 -.25 -.3293 2.2 |
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O25 .2749 -.25 .0657 2.2 |
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O26 .1048 -.25 .0579 2.2 |
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| Download AMC data (View Text File)
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Mutinaite |
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Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A |
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Zeolites 19 (1997) 323-325 |
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Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 |
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Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
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Note: reported occupancies do not match reported chemistry |
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_database_code_amcsd 0015873 |
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20.201 19.991 13.469 90 90 90 Pnma |
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atom x y z occ Uiso |
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Si1 .4254 .0571 .6788 .883 .018 |
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Al1 .4254 .0571 .6788 .117 .018 |
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Si2 .3177 .0298 .8333 .883 .022 |
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Al2 .3177 .0298 .8333 .117 .022 |
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Si3 .2783 .0626 .0495 .883 .023 |
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Al3 .2783 .0626 .0495 .117 .023 |
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Si4 .1226 .0629 .0443 .883 .018 |
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Al4 .1226 .0629 .0443 .117 .018 |
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Si5 .0757 .0299 .8312 .883 .016 |
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Al5 .0757 .0299 .8312 .117 .016 |
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Si6 .1964 .0583 .6936 .883 .021 |
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Al6 .1964 .0583 .6936 .117 .021 |
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Si7 .4277 .8292 .6911 .883 .018 |
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Al7 .4277 .8292 .6911 .117 .018 |
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Si8 .3177 .8718 .8369 .883 .020 |
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Al8 .3177 .8718 .8369 .117 .020 |
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Si9 .2712 .8274 .0452 .883 .019 |
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Al9 .2712 .8274 .0452 .117 .019 |
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Si10 .1175 .8269 .0393 .883 .018 |
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Al10 .1175 .8269 .0393 .117 .018 |
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Si11 .0739 .8716 .8304 .883 .019 |
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Al11 .0739 .8716 .8304 .117 .019 |
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Si12 .1973 .8274 .7041 .883 .020 |
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Al12 .1973 .8274 .7041 .117 .020 |
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O1 .3865 .0561 .7848 .043 |
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O2 .3176 .0617 -.0559 .044 |
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O3 .2018 .0604 .0292 .054 |
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O4 .0882 .0621 -.0641 .051 |
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O5 .1266 .0597 .7506 .046 |
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O6 .2560 .0572 .7697 .063 |
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O7 .3850 .8438 .7906 .040 |
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O8 .3146 .8435 -.0545 .052 |
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O9 .1941 .8451 .0283 .034 |
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O10 .0808 .8404 -.0629 .050 |
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O11 .1273 .8400 .7553 .057 |
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O12 .2553 .8489 .7716 .059 |
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O13 .3182 -.0493 .838 .103 |
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O14 .0837 -.0503 .8367 .057 |
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O15 .4146 .1297 .6267 .046 |
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O16 .4011 -.0006 .6084 .048 |
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O17 .3992 .8669 .5960 .040 |
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O18 .1986 .1303 .6354 .050 |
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O19 .1985 -.0008 .6143 .059 |
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O20 .1999 .8687 .6000 .052 |
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O21 .0030 .0500 .7937 .035 |
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O22 .0026 .8521 .7847 .035 |
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O23 .4272 .75 .666 .048 |
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O24 .2031 .75 .675 .061 |
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O25 .2811 .75 .077 .041 |
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O26 .1082 .75 .070 .031 |
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Ca .4840 .25 .923 .21 .023 |
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CaX1 .458 .035 .091 .016 .072 |
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NaX1 .458 .035 .091 .015 .072 |
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WatX1 .458 .035 .091 .299 .072 |
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CaX2 .070 .25 .459 .047 .082 |
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NaX2 .070 .25 .459 .044 .082 |
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WatX2 .070 .25 .459 .889 .082 |
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CaX3 .457 .25 .113 .025 .051 |
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NaX3 .457 .25 .113 .024 .051 |
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WatX3 .457 .25 .113 .481 .051 |
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CaX4 .191 .25 .010 .022 .111 |
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NaX4 .191 .25 .010 .021 .111 |
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WatX4 .191 .25 .010 .417 .111 |
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CaX5 .047 .163 .648 .034 .176 |
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NaX5 .047 .163 .648 .032 .176 |
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WatX5 .047 .163 .648 .644 .176 |
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CaX7 .060 .056 .519 .019 .219 |
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NaX6 .060 .056 .519 .017 .219 |
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WatX6 .060 .056 .519 .354 .219 |
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CaX7 .010 .059 .400 .016 .099 |
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NaX7 .010 .059 .400 .015 .099 |
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WatX7 .010 .059 .400 .299 .099 |
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CaX8 .419 .154 .955 .020 .121 |
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NaX8 .419 .154 .955 .019 .121 |
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WatX8 .419 .154 .955 .381 .121 |
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CaX9 .999 .138 .424 .010 .100 |
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NaX9 .999 .138 .424 .009 .100 |
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WatX9 .999 .138 .424 .191 .100 |
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CaX10 .486 .076 .904 .011 .093 |
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NaX10 .486 .076 .904 .010 .093 |
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WatX10 .486 .076 .904 .199 .093 |
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CaX11 .291 .25 .949 .010 .031 |
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NaX11 .291 .25 .949 .009 .031 |
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WatX11 .291 .25 .949 .181 .031 |
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CaX12 .435 .183 .038 .010 .041 |
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NaX12 .435 .183 .038 .009 .041 |
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WatX12 .435 .183 .038 .191 .041 |
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CaX13 .425 .25 .818 .015 .166 |
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NaX13 .425 .25 .818 .014 .166 |
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WatX13 .425 .25 .818 .281 .166 |
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CaX14 .157 .25 .786 .024 .174 |
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NaX14 .157 .25 .786 .022 .174 |
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WatX14 .157 .25 .786 .444 .174 |
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CaX15 .278 .218 .818 .016 .087 |
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NaX15 .278 .218 .818 .015 .087 |
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WatX15 .278 .218 .818 .309 .087 |
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CaX16 .058 .220 .922 .014 .125 |
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NaX16 .058 .220 .922 .014 .125 |
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WatX16 .058 .220 .922 .272 .125 |
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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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