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Stilbite-Ca |
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Cruciani G, Artioli G, Gualtieri A, Stahl K, Hanson J C |
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American Mineralogist 82 (1997) 729-739 |
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Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction |
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Sample: at T = 315 K |
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_database_code_amcsd 0001919 |
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13.6334 18.2443 17.8449 90 90.320 90 F2/m |
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atom x y z occ Uiso |
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Si1 .3617 .3067 .1255 .76 .023 |
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Al1 .3617 .3067 .1255 .24 .023 |
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Si2 .1370 .3108 .1255 .76 .023 |
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Al2 .1370 .3108 .1255 .24 .023 |
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Si3 -.0536 .0901 .2448 .76 .023 |
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Al3 -.0536 .0901 .2448 .24 .023 |
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Si4 -.1358 .3149 .25 .76 .023 |
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Al4 -.1358 .3149 .25 .24 .023 |
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Si5 0 .2487 0 .76 .023 |
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Al5 0 .2487 0 .24 .023 |
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Ca .2373 0 .0433 .99 .092 |
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Na .4736 .0563 .027 .22 .092 |
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O1 .4208 .3046 .0449 .036 |
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O2 .0608 .3051 .0558 .036 |
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O3 -.1298 .2720 .1696 .036 |
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O4 -.1071 .1170 .1683 .036 |
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O5 .1170 .2376 .1771 .036 |
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O6 .1092 .3792 .1808 .036 |
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O7 .2507 .3181 .0985 .036 |
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O8 .0636 .1114 .2503 .036 |
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O9 -.0763 0 .2394 .036 |
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O10 -.25 .3451 .25 .036 |
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Wat1 .085 .089 .060 .41 .112 |
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Wat2 .288 .130 .060 .112 |
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Wat3 .183 0 .190 .112 |
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Wat4 .404 0 .109 .112 |
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Wat5 .383 .5 .075 .66 .112 |
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Wat6 .138 .5 .046 .87 .112 |
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Wat8 .227 0 -.094 .73 .112 |
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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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Stilbite-Ca |
|
Cruciani G, Artioli G, Gualtieri A, Stahl K, Hanson J C |
|
American Mineralogist 82 (1997) 729-739 |
|
Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction |
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Sample: at T = 416 K |
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_database_code_amcsd 0001920 |
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13.6520 18.1575 17.790 90 90.227 90 F2/m |
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atom x y z occ Uiso |
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Si1 .3592 .3034 .1265 .76 .023 |
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Al1 .3592 .3034 .1265 .24 .023 |
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Si2 .1366 .3132 .1280 .76 .023 |
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Al2 .1366 .3132 .1280 .24 .023 |
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Si3 -.0509 .0899 .2427 .76 .023 |
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Al3 -.0509 .0899 .2427 .24 .023 |
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Si4 -.1358 .3157 .2505 .76 .023 |
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Al4 -.1358 .3157 .2505 .24 .023 |
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Si5 0 .2447 0 .76 .023 |
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Al5 0 .2447 0 .24 .023 |
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Ca .2440 0 .0387 .62 .094 |
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Na .334 .122 .083 .36 .094 |
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O1 .4191 .3042 .0466 .040 |
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O2 .0557 .2967 .0625 .040 |
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O3 -.1206 .2747 .1693 .040 |
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O4 -.1165 .1193 .1711 .040 |
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O5 .1206 .2380 .1761 .040 |
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O6 .1019 .3807 .1818 .040 |
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O7 .2490 .3256 .0955 .040 |
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O8 .0693 .1092 .2462 .040 |
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O9 -.0644 0 .2494 .040 |
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O10 -.25 .3487 .25 .040 |
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Wat1 .110 .074 .078 .36 .120 |
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Wat2 .250 .139 .059 .64 .120 |
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Wat3 .194 0 .198 .88 .120 |
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Wat4 .417 0 .072 .97 .120 |
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Wat5 .383 .5 .082 .58 .120 |
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Wat6 .110 .5 .051 .98 .120 |
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Wat8 .214 0 -.100 .70 .120 |
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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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Stilbite-Ca |
|
Cruciani G, Artioli G, Gualtieri A, Stahl K, Hanson J C |
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American Mineralogist 82 (1997) 729-739 |
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Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction |
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Sample: at T = 441 K |
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_database_code_amcsd 0001921 |
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13.7200 17.6808 17.4461 90 90 90 Amma |
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atom x y z occ Uiso |
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Si1 .1383 .3289 .1327 .76 .036 |
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Al1 .1383 .3289 .1327 .24 .036 |
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Si1p .1372 .2897 .3782 .76 .036 |
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Al1p .1372 .2897 .3782 .24 .036 |
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Si3 .0493 .4084 .2760 .76 .036 |
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Al3 .0493 .4084 .2760 .24 .036 |
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Si4 .1359 .1864 .2336 .76 .036 |
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Al4 .1359 .1864 .2336 .24 .036 |
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Si5 0 .2935 0 .76 .036 |
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Al5 0 .2935 0 .24 .036 |
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Na1 .25 .315 .082 .06 .078 |
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Ca1 .25 .315 .082 .11 .078 |
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Na2 .205 0 .251 .04 .078 |
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Ca2 .205 0 .251 .07 .078 |
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Na4 .25 .5 .1119 .11 .078 |
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Ca4 .25 .5 .1119 .19 .078 |
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Na5 .25 .5 .422 .10 .078 |
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Ca5 .25 .5 .422 .17 .078 |
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O1 .0673 .3468 .0577 .052 |
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O1p .0666 .2668 .4520 .052 |
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O3 .1212 .2417 .1601 .052 |
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O3p .1232 .2143 .3225 .052 |
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O4 .1015 .3888 .1955 .052 |
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O4p .1250 .3740 .3375 .052 |
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O7 .25 .3635 .1153 .052 |
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O7p .25 .2783 .4051 .052 |
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O8 .0652 .1162 .2104 .052 |
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O9 .0672 .5 .2979 .052 |
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O10 .25 .1579 .2265 .052 |
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Wat1 .142 0 .389 .49 .090 |
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Wat2 .0443 0 .5851 .090 |
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Wat3 .107 0 -.052 .58 .090 |
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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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Stilbite-Ca |
|
Cruciani G, Artioli G, Gualtieri A, Stahl K, Hanson J C |
|
American Mineralogist 82 (1997) 729-739 |
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Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction |
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Sample: at T = 521 K |
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_database_code_amcsd 0001922 |
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13.5849 17.6213 17.1148 90 90 90 Amma |
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atom x y z occ Uiso |
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Si1 .1421 .3381 .1329 .76 .036 |
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Al1 .1421 .3381 .1329 .24 .036 |
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Si1d .1412 .4124 .1106 .76 .036 |
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Al1d .1412 .4124 .1106 .24 .036 |
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Si1p .1394 .2756 .3761 .76 .036 |
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Al1p .1394 .2756 .3761 .24 .036 |
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Si1pd .1505 .3244 .4364 .76 .036 |
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Al1pd .1505 .3244 .4364 .24 .036 |
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Si3 .0540 .4125 .2866 .76 .036 |
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Al3 .0540 .4125 .2866 .24 .036 |
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Si4 .1370 .1756 .2234 .76 .036 |
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Al4 .1370 .1756 .2234 .24 .036 |
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Si5 0 .3044 0 .76 .036 |
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Al5 0 .3044 0 .24 .036 |
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Na1 .25 .2468 .0494 .11 .078 |
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Ca1 .25 .2468 .0494 .18 .078 |
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Na2 .191 0 .230 .04 .078 |
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Ca2 .191 0 .230 .08 .078 |
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Na4 .25 .5 .1917 .13 .078 |
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Ca4 .25 .5 .1917 .22 .078 |
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Na5 .25 .5 .479 .04 .078 |
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Ca5 .25 .5 .479 .06 .078 |
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O1 .0693 .3568 .0586 .052 |
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O1p .0777 .2514 .4542 .052 |
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O3 .1339 .2473 .1595 .052 |
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O3d -.107 0 .412 .57 .052 |
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O3p .1266 .2081 .3123 .052 |
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O4 .0996 .3971 .1992 .052 |
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O4p .1021 .3635 .3577 .052 |
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O7 .25 .3698 .1007 .052 |
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O7p .25 .2749 .4150 .052 |
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O8 .0668 .0996 .2182 .052 |
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O9 .0856 .5 .3101 .052 |
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O10 .25 .1389 .2234 .052 |
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Wat1 .187 0 .390 .34 .090 |
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Wat2 .186 0 .529 .13 .090 |
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Wat3 .053 0 .029 .26 .090 |
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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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Stilbite-Ca |
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Akizuki M, Kudoh Y, Satoh Y |
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European Journal of Mineralogy 5 (1993) 839-843 |
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Crystal structure of the orthorhombic {001} growth sector of stilbite |
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_database_code_amcsd 0006490 |
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13.616 18.238 17.835 90 90 90 Fmmm |
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atom x y z occ Biso |
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Ca .5000 .0000 .2939 .945 4.09 |
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Mg .5000 .0000 .2939 .055 4.09 |
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Na .2022 .4442 .2782 .047 5.53 |
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Mg .2022 .4442 .2782 .013 5.53 |
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Si1 .3860 .3070 .3764 .74 1.18 |
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Al1 .3860 .3070 .3764 .26 1.18 |
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Si3 .3023 .4110 .5000 .74 1.12 |
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Al3 .3023 .4110 .5000 .26 1.12 |
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Si4 .3883 .1831 .5000 .74 .98 |
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Al4 .3883 .1831 .5000 .26 .98 |
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Si5 .2500 .2500 .2500 .74 1.53 |
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Al5 .2500 .2500 .2500 .26 1.53 |
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O1 .3183 .3039 .3013 2.81 |
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O3 .3719 .2321 .4249 2.51 |
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O4 .3560 .3802 .4238 2.92 |
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O7 .5000 .3161 .3477 2.41 |
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O8 .3158 .1136 .5000 2.52 |
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O9 .3083 .5000 .5000 2.27 |
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O10 .5000 .1493 .5000 2.53 |
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Wat1 .0000 .3728 .3020 .97 10.52 |
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Wat2 .0417 .5000 .4217 .46 9.21 |
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Wat3 .0998 .5000 .1777 .97 15.91 |
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Wat4 .1334 .5000 .3749 .40 10.53 |
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Wat5 .1426 .4171 .3135 .42 13.16 |
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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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