|
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 |
|
Sample: at T = 315 K |
|
_database_code_amcsd 0001919 |
|
13.6334 18.2443 17.8449 90 90.320 90 F2/m |
|
atom x y z occ Uiso |
|
Si1 .3617 .3067 .1255 .76 .023 |
|
Al1 .3617 .3067 .1255 .24 .023 |
|
Si2 .1370 .3108 .1255 .76 .023 |
|
Al2 .1370 .3108 .1255 .24 .023 |
|
Si3 -.0536 .0901 .2448 .76 .023 |
|
Al3 -.0536 .0901 .2448 .24 .023 |
|
Si4 -.1358 .3149 .25 .76 .023 |
|
Al4 -.1358 .3149 .25 .24 .023 |
|
Si5 0 .2487 0 .76 .023 |
|
Al5 0 .2487 0 .24 .023 |
|
Ca .2373 0 .0433 .99 .092 |
|
Na .4736 .0563 . 027 .22 .092 |
|
O1 .4208 .3046 .0449 .036 |
|
O2 .0608 .3051 .0558 .036 |
|
O3 -.1298 .2720 .1696 .036 |
|
O4 -.1071 .1170 .1683 .036 |
|
O5 .1170 .2376 .1771 .036 |
|
O6 .1092 .3792 .1808 .036 |
|
O7 .2507 .3181 .0985 .036 |
|
O8 .0636 .1114 .2503 .036 |
|
O9 -.0763 0 .2394 .036 |
|
O10 -.25 .3451 .25 .036 |
|
Wat1 .085 .089 .060 .41 .112 |
|
Wat2 .288 .130 .060 .112 |
|
Wat3 .183 0 .190 .112 |
|
Wat4 .404 0 .109 .112 |
|
Wat5 .383 .5 .075 .66 .112 |
|
Wat6 .138 .5 .046 .87 .112 |
|
Wat8 .227 0 -.094 .73 .112 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
Sample: at T = 416 K |
|
_database_code_amcsd 0001920 |
|
13.6520 18.1575 17.790 90 90.227 90 F2/m |
|
atom x y z occ Uiso |
|
Si1 .3592 .3034 .1265 .76 .023 |
|
Al1 .3592 .3034 .1265 .24 .023 |
|
Si2 .1366 .3132 .1280 .76 .023 |
|
Al2 .1366 .3132 .1280 .24 .023 |
|
Si3 -.0509 .0899 .2427 .76 .023 |
|
Al3 -.0509 .0899 .2427 .24 .023 |
|
Si4 -.1358 .3157 .2505 .76 .023 |
|
Al4 -.1358 .3157 .2505 .24 .023 |
|
Si5 0 .2447 0 .76 .023 |
|
Al5 0 .2447 0 .24 .023 |
|
Ca .2440 0 .0387 .62 .094 |
|
Na .334 .122 .083 .36 .094 |
|
O1 .4191 .3042 .0466 .040 |
|
O2 .0557 .2967 .0625 .040 |
|
O3 -.1206 .2747 .1693 .040 |
|
O4 -.1165 .1193 .1711 .040 |
|
O5 .1206 .2380 .1761 .040 |
|
O6 .1019 .3807 .1818 .040 |
|
O7 .2490 .3256 .0955 .040 |
|
O8 .0693 .1092 .2462 .040 |
|
O9 -.0644 0 .2494 .040 |
|
O10 -.25 .3487 .25 .040 |
|
Wat1 .110 .074 .078 .36 .120 |
|
Wat2 .250 .139 .059 .64 .120 |
|
Wat3 .194 0 .198 .88 .120 |
|
Wat4 .417 0 .072 .97 .120 |
|
Wat5 .383 .5 .082 .58 .120 |
|
Wat6 .110 .5 .051 .98 .120 |
|
Wat8 .214 0 -.100 .70 .120 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
Sample: at T = 441 K |
|
_database_code_amcsd 0001921 |
|
13.7200 17.6808 17.4461 90 90 90 Amma |
|
atom x y z occ Uiso |
|
Si1 .1383 .3289 .1327 .76 .036 |
|
Al1 .1383 .3289 .1327 .24 .036 |
|
Si1p .1372 .2897 .3782 .76 .036 |
|
Al1p .1372 .2897 .3782 .24 .036 |
|
Si3 .0493 .4084 .2760 .76 .036 |
|
Al3 .0493 .4084 .2760 .24 .036 |
|
Si4 .1359 .1864 .2336 .76 .036 |
|
Al4 .1359 .1864 .2336 .24 .036 |
|
Si5 0 .2935 0 .76 .036 |
|
Al5 0 .2935 0 .24 .036 |
|
Na1 .25 .315 .082 .06 .078 |
|
Ca1 .25 .315 .082 .11 .078 |
|
Na2 .205 0 .251 .04 .078 |
|
Ca2 .205 0 .251 .07 .078 |
|
Na4 .25 .5 .1119 .11 .078 |
|
Ca4 .25 .5 .1119 .19 .078 |
|
Na5 .25 .5 .422 .10 .078 |
|
Ca5 .25 .5 .422 .17 .078 |
|
O1 .0673 .3468 .0577 .052 |
|
O1p .0666 .2668 .4520 .052 |
|
O3 .1212 .2417 .1601 .052 |
|
O3p .1232 .2143 .3225 .052 |
|
O4 .1015 .3888 .1955 .052 |
|
O4p .1250 .3740 .3375 .052 |
|
O7 .25 .3635 .1153 .052 |
|
O7p .25 .2783 .4051 .052 |
|
O8 .0652 .1162 .2104 .052 |
|
O9 .0672 .5 .2979 .052 |
|
O10 .25 .1579 .2265 .052 |
|
Wat1 .142 0 .389 .49 .090 |
|
Wat2 .0443 0 .5851 .090 |
|
Wat3 .107 0 -.052 .58 .090 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
Sample: at T = 521 K |
|
_database_code_amcsd 0001922 |
|
13.5849 17.6213 17.1148 90 90 90 Amma |
|
atom x y z occ Uiso |
|
Si1 .1421 .3381 .1329 .76 .036 |
|
Al1 .1421 .3381 .1329 .24 .036 |
|
Si1d .1412 .4124 .1106 .76 .036 |
|
Al1d .1412 .4124 .1106 .24 .036 |
|
Si1p .1394 .2756 .3761 .76 .036 |
|
Al1p .1394 .2756 .3761 .24 .036 |
|
Si1pd .1505 .3244 .4364 .76 .036 |
|
Al1pd .1505 .3244 .4364 .24 .036 |
|
Si3 .0540 .4125 .2866 .76 .036 |
|
Al3 .0540 .4125 .2866 .24 .036 |
|
Si4 .1370 .1756 .2234 .76 .036 |
|
Al4 .1370 .1756 .2234 .24 .036 |
|
Si5 0 .3044 0 .76 .036 |
|
Al5 0 .3044 0 .24 .036 |
|
Na1 .25 .2468 .0494 .11 .078 |
|
Ca1 .25 .2468 .0494 .18 .078 |
|
Na2 .191 0 .230 .04 .078 |
|
Ca2 .191 0 .230 .08 .078 |
|
Na4 .25 .5 .1917 .13 .078 |
|
Ca4 .25 .5 .1917 .22 .078 |
|
Na5 .25 .5 .479 .04 .078 |
|
Ca5 .25 .5 .479 .06 .078 |
|
O1 .0693 .3568 .0586 .052 |
|
O1p .0777 .2514 .4542 .052 |
|
O3 .1339 .2473 .1595 .052 |
|
O3d -.107 0 .412 .57 .052 |
|
O3p .1266 .2081 .3123 .052 |
|
O4 .0996 .3971 .1992 .052 |
|
O4p .1021 .3635 .3577 .052 |
|
O7 .25 .3698 .1007 .052 |
|
O7p .25 .2749 .4150 .052 |
|
O8 .0668 .0996 .2182 .052 |
|
O9 .0856 .5 .3101 .052 |
|
O10 .25 .1389 .2234 .052 |
|
Wat1 .187 0 .390 .34 .090 |
|
Wat2 .186 0 .529 .13 .090 |
|
Wat3 .053 0 .029 .26 .090 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Erionite-Ca |
| |
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Lady Hill |
|
_database_code_amcsd 0002001 |
|
13.339 13.339 15.112 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Si1 .0012 .2308 .1058 .939 .027 |
|
Al1 .0012 .2308 .1058 .061 .027 |
|
Si2 .0871 .4190 .25 .512 .015 |
|
Al2 .0871 .4190 .25 .488 .015 |
|
Ca1 1/3 2/3 .118 .40 .091 |
|
Ca2 1/3 2/3 .942 .47 .082 |
|
Ca3 2/3 1/3 .221 .07 .041 |
|
Ca4 .5 0 0 .04 .091 |
|
K 0 0 .25 .051 |
|
O1 .0295 .3443 .1584 .044 |
|
O2 .0991 .1982 .1285 .052 |
|
O3 .1266 .2532 .6284 .044 |
|
O4 .2645 0 0 .051 |
|
O5 .2314 .4628 .25 .033 |
|
O6 .1105 .5552 .25 .035 |
|
Wat1 .2705 .5410 -.060 .39 .067 |
|
Wat1b .2439 .4878 .0154 .46 .067 |
|
Wat2 .2050 .4100 .75 .31 .048 |
|
Wat2b .254 .508 .691 .29 .048 |
|
Wat3 .4414 .8828 .9141 .62 .047 |
|
Wat3b .470 -.060 .027 .38 .047 |
|
Wat3c .4205 .8410 .6586 .18 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Erionite-Ca |
| |
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Shourdo |
|
_database_code_amcsd 0002002 |
|
13.264 13.264 15.067 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Si1 .0006 .2329 .1052 .823 .036 |
|
Al1 .0006 .2329 .1052 .177 .036 |
|
Si2 .0926 .4226 .25 .695 .031 |
|
Al2 .0926 .4226 .25 .305 .031 |
|
Ca1 1/3 2/3 .104 .15 .077 |
|
Ca2 1/3 2/3 .887 .12 .069 |
|
Ca3 2/3 1/3 .2010 .13 .032 |
|
Ca4 .5 0 0 .14 .065 |
|
Mg 2/3 1/3 .0730 .13 .103 |
|
K 0 0 .25 .038 |
|
O1 .0251 .3473 .6609 .045 |
|
O2 .0973 .1946 .1261 .019 |
|
O3 .1263 .2526 .6320 .024 |
|
O4 .2680 0 0 .038 |
|
O5 .2310 .4620 .25 .043 |
|
O6 .0970 .5485 .25 .070 |
|
Wat1 .266 .532 .008 .29 .086 |
|
Wat2 .235 .470 .718 .36 .128 |
|
Wat2b .260 .522 .694 .18 .128 |
|
Wat3 .431 .862 .903 .61 .138 |
|
Wat3b .462 -.074 .029 .22 .138 |
|
Wat3c .465 .930 .779 .14 .138 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Erionite-Ca |
| |
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Tunguska |
|
_database_code_amcsd 0002003 |
|
13.304 13.304 15.078 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Si1 .0030 .2332 .1057 .823 .036 |
|
Al1 .0030 .2332 .1057 .177 .036 |
|
Si2 .0945 .4227 .25 .645 .028 |
|
Al2 .0945 .4227 .25 .355 .028 |
|
Ca1 1/3 2/3 .113 .16 .026 |
|
Ca2 1/3 2/3 .9263 .55 .072 |
|
Ca3 2/3 1/3 .219 .13 .033 |
|
Ca4 .5 0 0 .04 .095 |
|
K 0 0 .25 .85 .039 |
|
O1 .0223 .3453 .6616 .026 |
|
O2 .0952 .1904 .1255 .042 |
|
O3 .1259 .2518 .6383 .058 |
|
O4 .2661 0 0 .040 |
|
O5 .2284 .4568 .25 .051 |
|
O6 .0722 .5361 .25 .061 |
|
Wat1 .2476 .4952 .020 .39 .128 |
|
Wat2 .242 .484 .75 .24 .149 |
|
Wat2b .238 .476 .678 .46 .149 |
|
Wat3 .4337 .8674 .882 .74 .128 |
|
Wat3b .534 .069 .004 .33 .128 |
|
Wat3c .421 .842 .711 .19 .128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Erionite-Ca |
| |
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Agate Beach |
|
_database_code_amcsd 0002004 |
|
13.289 13.289 15.079 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Si1 -.0005 .2332 .1015 .830 .031 |
|
Al1 -.0005 .2332 .1015 .170 .031 |
|
Si2 .0897 .4249 .25 .655 .046 |
|
Al2 .0897 .4249 .25 .345 .046 |
|
Ca1 1/3 2/3 .1137 .30 .085 |
|
Ca2 1/3 2/3 .9047 .22 .079 |
|
Ca3 2/3 1/3 .177 .16 .020 |
|
Mg 2/3 1/3 .049 .20 .018 |
|
K 0 0 .25 .87 .017 |
|
O1 .0175 .3305 .6752 .057 |
|
O2 .0915 .1830 .1176 .064 |
|
O3 .1101 .2202 .6371 .062 |
|
O4 .2693 0 0 .019 |
|
O5 .2329 .4658 .25 .088 |
|
O6 .0365 .5182 .25 .052 |
|
Wat1 .245 .490 .106 .33 .162 |
|
Wat2b .2658 .5316 .7009 .86 .135 |
|
Wat3 .422 .844 .897 .90 .107 |
|
Wat3b .469 -.602 .073 .30 .107 |
|
Wat3c .441 .882 .789 .24 .107 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Offretite |
|
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample from Mt. Semiol |
|
_database_code_amcsd 0002005 |
|
13.293 13.293 7.608 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 -.0004 .2308 .2067 .71 .028 |
|
Al1 -.0004 .2308 .2067 .29 .028 |
|
Si2 .0919 .4210 .5 .71 .030 |
|
Al2 .0919 .4210 .5 .29 .030 |
|
Ca1 2/3 1/3 .353 .43 .067 |
|
Ca2 2/3 1/3 .245 .27 .052 |
|
K 0 0 .5 .040 |
|
Mg 1/3 2/3 0 .026 |
|
O1 .0267 .3476 .3188 .030 |
|
O2 .0942 .9056 .2340 .016 |
|
O3 .8849 .1151 .2807 .026 |
|
O4 .0093 .2722 0 .032 |
|
O5 .2271 .7729 .5 .010 |
|
O6 .4545 .5455 .5 .051 |
|
Wat1 1/3 2/3 .2587 .043 |
|
Wat2 .2437 .7563 0 .80 .041 |
|
Wat3 .1740 .4957 0 .30 .060 |
|
Wat4 .7579 .2421 .5 .058 |
|
Wat5 -.4357 .4357 .1713 .35 .042 |
|
Wat5b -.4820 .4820 .1231 .37 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Offretite |
|
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample #1 from Fitta |
|
_database_code_amcsd 0002006 |
|
13.390 13.390 7.598 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 -.0014 .2321 .2087 .70 .039 |
|
Al1 -.0014 .2321 .2087 .30 .039 |
|
Si2 .0884 .4231 .5 .70 .020 |
|
Al2 .0884 .4231 .5 .30 .020 |
|
Ca1 2/3 1/3 .4021 .40 .042 |
|
Ca2 2/3 1/3 .2664 .36 .048 |
|
K 0 0 .5 .96 .051 |
|
Mg 1/3 2/3 0 .97 .043 |
|
O1 .0260 .3494 .3160 .020 |
|
O2 .0962 .9037 .2500 .028 |
|
O3 .8734 .1265 .2926 .066 |
|
O4 .0052 .2644 0 .022 |
|
O5 .2331 .7668 .5 .026 |
|
O6 .4602 .5397 .5 .037 |
|
Wat1 1/3 2/3 .2335 .120 |
|
Wat2 .2432 .7568 0 .81 .063 |
|
Wat3 .1350 .5104 0 .26 .060 |
|
Wat4 .7663 .2337 .5 .85 .056 |
|
Wat5 -.4325 .4325 .1682 .062 |
|
Wat6 -.2539 .2539 0 .32 .060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Offretite |
|
Gualtieri A, Artioli G, Passaglia E, Bigi S, Viani A, Hanson J C |
|
American Mineralogist 83 (1998) 590-606 |
|
Crystal structure-crystal chemistry relationships in the zeolites erionite |
|
and offretite |
|
Sample #2 from Fitta |
|
_database_code_amcsd 0002007 |
|
13.308 13.308 7.597 90 90 120 P-6m2 |
|
atom x y z occ Uiso |
|
Si1 .0006 .2317 .2048 .70 .039 |
|
Al1 .0006 .2317 .2048 .30 .039 |
|
Si2 .0921 .4227 .5 .70 .026 |
|
Al2 .0921 .4227 .5 .30 .026 |
|
Ca1 2/3 1/3 .3876 .43 .041 |
|
Ca2 2/3 1/3 .2438 .32 .033 |
|
K 0 0 .5 .89 .018 |
|
Mg 1/3 2/3 0 .86 .030 |
|
O1 .0208 .3479 .3173 .020 |
|
O2 .0957 .9043 .2686 .091 |
|
O3 .8761 .1239 .2900 .089 |
|
O4 .0019 .2691 0 .049 |
|
O5 .2287 .7713 .5 .067 |
|
O6 .457 .543 .5 .019 |
|
Wat1 1/3 2/3 .2335 .120 |
|
Wat2 .2424 .7576 0 .65 .020 |
|
Wat3 .1129 .4602 0 .55 .039 |
|
Wat4 .7564 .2436 .5 .94 .044 |
|
Wat5 -.4363 .4363 .1603 .13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Yugawaralite |
|
Artioli G, Stahl K, Cruciani G, Gualtieri A, Hanson J C |
|
American Mineralogist 86 (2001) 185-192 |
|
In situ dehydration of yugawaralite |
|
Sample: at T = 315 K |
|
_database_code_amcsd 0002627 |
|
6.73200 14.0157 10.0607 90 111.189 90 Pc |
|
atom x y z occ Uiso |
|
Si1 .338 .1498 .984 .0049 |
|
Si2 .704 .0352 .192 .0049 |
|
Si3 .407 .1250 .697 .0049 |
|
Si4 .019 .4750 .438 .0049 |
|
Si5 .354 .3718 .962 .0049 |
|
Si6 .736 .5005 .6260 .0049 |
|
Al1 0 .0062 0 .0049 |
|
Al2 .389 .3555 .652 .0049 |
|
O1 .102 .1053 .943 .007 |
|
O2 .848 .046 .095 .007 |
|
O3 .187 .078 .593 .007 |
|
O4 .514 .113 .133 .007 |
|
O5 .429 .125 .861 .007 |
|
O6 .615 .0730 .687 .007 |
|
O7 .853 .0613 .353 .007 |
|
O8 .334 .2634 .008 .007 |
|
O9 .408 .2329 .643 .007 |
|
O10 .159 .4283 .986 .007 |
|
O11 .832 .482 .502 .007 |
|
O12 .162 .3808 .503 .007 |
|
O13 .576 .4086 .082 .007 |
|
O14 .360 .392 .807 .007 |
|
O15 .624 .4022 .645 .007 |
|
O16 .935 .467 .266 .007 |
|
Ca .041 .2169 .424 .012 |
|
OW1 .985 .250 .177 .86 .020 |
|
OW1a .04 .29 .21 .14 .020 |
|
OW2 .897 .234 .620 .020 |
|
OW3 .676 .284 .334 .020 |
|
OW4 .341 .150 .351 .88 .020 |
|
OW4a .32 .13 .28 .12 .020 |
|
OW5 .793 .259 .912 .29 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Yugawaralite |
|
Artioli G, Stahl K, Cruciani G, Gualtieri A, Hanson J C |
|
American Mineralogist 86 (2001) 185-192 |
|
In situ dehydration of yugawaralite |
|
Sample: at T = 454 K |
|
_database_code_amcsd 0002628 |
|
6.75075 14.0285 10.0289 90 111.216 90 Pc |
|
atom x y z occ Uiso |
|
Si1 .336 .1480 .980 .0089 |
|
Si2 .706 .0353 .190 .0089 |
|
Si3 .408 .1281 .690 .0089 |
|
Si4 .019 .4764 .440 .0089 |
|
Si5 .353 .3715 .961 .0089 |
|
Si6 .730 .5034 .6232 .0089 |
|
Al1 0 .0036 0 .0089 |
|
Al2 .381 .3541 .647 .0089 |
|
O1 .103 .103 .946 .015 |
|
O2 .853 .050 .096 .015 |
|
O3 .192 .080 .585 .015 |
|
O4 .516 .112 .127 .015 |
|
O5 .422 .128 .853 .015 |
|
O6 .608 .0713 .677 .015 |
|
O7 .848 .0635 .353 .015 |
|
O8 .325 .2620 -.001 .015 |
|
O9 .401 .2328 .623 .015 |
|
O10 .158 .4268 .984 .015 |
|
O11 .828 .486 .500 .015 |
|
O12 .149 .3798 .504 .015 |
|
O13 .579 .4038 .079 .015 |
|
O14 .360 .390 .805 .015 |
|
O15 .605 .4072 .634 .015 |
|
O16 .918 .462 .268 .015 |
|
Ca .011 .2214 .445 .026 |
|
OW1 .059 .235 .219 .99 .059 |
|
OW1a .0050 .3430 .1970 .01 .059 |
|
OW2 .867 .231 .618 .059 |
|
OW3 .664 .281 .331 .059 |
|
OW4 .3050 .1520 .330 .11 .059 |
|
OW4a .33 .087 .30 .20 .059 |
|
OW5 .835 .231 .954 .38 .059 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Yugawaralite |
|
Artioli G, Stahl K, Cruciani G, Gualtieri A, Hanson J C |
|
American Mineralogist 86 (2001) 185-192 |
|
In situ dehydration of yugawaralite |
|
Sample: at T = 581 K |
|
_database_code_amcsd 0002629 |
|
6.7836 13.9842 10.0736 90 111.443 90 Pc |
|
atom x y z occ Uiso |
|
Si1 .337 .1503 .986 .0168 |
|
Si2 .707 .0324 .194 .0168 |
|
Si3 .405 .1267 .694 .0168 |
|
Si4 .021 .4717 .462 .0168 |
|
Si5 .357 .3693 .965 .0168 |
|
Si6 .730 .5056 .645 .0168 |
|
Al1 0 -.0022 0 .0168 |
|
Al2 .385 .3548 .652 .0168 |
|
O1 .112 .101 .965 .027 |
|
O2 .835 .034 .087 .027 |
|
O3 .172 .092 .593 .027 |
|
O4 .531 .114 .126 .027 |
|
O5 .414 .132 .855 .027 |
|
O6 .611 .0743 .683 .027 |
|
O7 .874 .067 .346 .027 |
|
O8 .330 .2632 .019 .027 |
|
O9 .425 .2333 .640 .027 |
|
O10 .175 .437 .983 .027 |
|
O11 .845 .492 .532 .027 |
|
O12 .157 .3741 .504 .027 |
|
O13 .567 .405 .093 .027 |
|
O14 .364 .391 .811 .027 |
|
O15 .611 .405 .639 .027 |
|
O16 .902 .456 .293 .027 |
|
Ca .034 .2224 .434 .033 |
|
OW1 .060 .242 .202 .128 |
|
OW2 .814 .235 .557 .128 |
|
OW3 .674 .264 .374 .53 .128 |
|
OW4a .33 .100 .27 .31 .128 |
|
OW5 .87 .22 .99 .23 .128 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Todorokite |
|
Post J E, Heaney P J, Hanson J C |
|
American Mineralogist 88 (2003) 142-150 |
|
Synchrotron X-ray diffraction study of the structure and dehydration |
|
behavior of todorokite |
|
_database_code_amcsd 0002955 |
|
9.769 2.8512 9.560 90 94.47 90 P2/m |
|
atom x y z occ Uiso |
|
Mn1 .5 .5 0 .028 |
|
Mn2 .7638 0 .0002 .028 |
|
Mn3 0 0 .5 .028 |
|
Mn4 .9725 .5 .7650 .028 |
|
O1 .148 .5 .084 .048 |
|
O2 .418 0 .096 .048 |
|
O3 .669 .5 .102 .048 |
|
O4 .910 0 .150 .048 |
|
O5 .905 .5 .395 .048 |
|
O6 .890 0 .650 .048 |
|
Wat1 .421 0 .391 .84 .048 |
|
Wat2 .655 .5 .373 1.18 .048 |
|
Wat3 .626 .5 .672 .61 .048 |
|
Mg .5 .5 .5 .47 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Akaganeite |
|
Post J E, Heaney P J, Von Dreele R B, Hanson J C |
|
American Mineralogist 88 (2003) 782-788 |
|
Neutron and temperature-resolved synchrotron X-ray powder diffraction |
|
study of akaganeite |
|
_database_code_amcsd 0003079 |
|
10.587 3.0311 10.515 90 90.03 90 I2/m |
|
atom x y z occ Uiso |
|
Fe1 .8544 0 .3424 .0167 |
|
Fe2 .3452 0 .1450 .0167 |
|
O1 .663 0 .2883 .0122 |
|
O2 .662 0 .0429 .0122 |
|
O3 .2946 0 .3351 .0122 |
|
O4 .0374 0 .325 .0122 |
|
Cl 0 .132 0 .42 .075 |
|
H1 .367 .098 .626 .5 .009 |
|
H2 .348 .056 .405 .5 .009 |
|
H3 -.105 0 .122 .32 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Edingtonite |
|
Stahl K, Hanson J C |
| |
European Journal of Mineralogy 10 (1998) 221-228 |
|
An in situ study of the edingtonite dehydration process from |
|
X-ray synchrotron powder diffraction |
|
Sample: 310 K |
|
_database_code_amcsd 0006714 |
|
9.5374 9.6127 6.5233 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Ba .5 0 .6322 .9 2.4 |
|
Ca .5 0 .6322 .1 2.4 |
|
Al .0887 .1680 .6241 1.6 |
|
Si1 0 0 .0052 1.6 |
|
Si2 -.1755 .0952 .3865 1.6 |
|
O1 .1751 .3229 .6233 1.1 |
|
O2 -.0565 .2000 .4667 1.1 |
|
O3 .1855 .0360 .5322 1.1 |
|
O4 .0359 .1346 .8737 1.1 |
|
O5 -.1348 .0399 .1569 1.1 |
|
Wat1 .1682 .3265 .1378 .73 3.0 |
|
Wat2 .3862 .1258 -.0190 .81 3.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Edingtonite |
|
Stahl K, Hanson J C |
| |
European Journal of Mineralogy 10 (1998) 221-228 |
|
An in situ study of the edingtonite dehydration process from |
|
X-ray synchrotron powder diffraction |
|
Sample: 396 K |
|
_database_code_amcsd 0006715 |
|
9.4903 9.5690 6.5290 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Ba .5 0 .6284 .9 2.7 |
|
Ca .5 0 .6284 .1 2.7 |
|
Al .0872 .1672 .6282 1.7 |
|
Si1 0 0 .0054 1.7 |
|
Si2 -.1755 .0955 .3845 1.7 |
|
O1 .1734 .3208 .6214 1.0 |
|
O2 -.0595 .2042 .4724 1.0 |
|
O3 .1834 .0346 .5352 1.0 |
|
O4 .0358 .1352 .8766 1.0 |
|
O5 -.1347 .0325 .1657 1.0 |
|
Wat1 .1336 .3338 .1281 .49 3.7 |
|
Wat2 .3886 .1292 -.0213 .74 3.7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Edingtonite |
|
Stahl K, Hanson J C |
| |
European Journal of Mineralogy 10 (1998) 221-228 |
|
An in situ study of the edingtonite dehydration process from |
|
X-ray synchrotron powder diffraction |
|
Sample: 451 K |
|
_database_code_amcsd 0006716 |
|
9.4393 9.5089 6.5042 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Ba .5 0 .6334 .9 2.9 |
|
Ca .5 0 .6334 .1 2.9 |
|
Al .0872 .1712 .6351 1.7 |
|
Si1 0 0 .0053 1.7 |
|
Si2 -.1767 .0941 .3855 1.7 |
|
O1 .1668 .3272 .6081 1.4 |
|
O2 -.0567 .2054 .4711 1.4 |
|
O3 .1859 .0340 .5409 1.4 |
|
O4 .0237 .1387 .8747 1.4 |
|
O5 -.1358 .0335 .1665 1.4 |
|
Wat1 .1336 .3338 .1281 .16 4.1 |
|
Wat2 .3997 .1362 -.0262 .86 4.1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Edingtonite |
|
Stahl K, Hanson J C |
| |
European Journal of Mineralogy 10 (1998) 221-228 |
|
An in situ study of the edingtonite dehydration process from |
|
X-ray synchrotron powder diffraction |
|
Sample: 643 K |
|
_database_code_amcsd 0006717 |
|
9.3758 9.4097 6.5377 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Ba .5 0 .6286 .9 3.0 |
|
Ca .5 0 .6286 .1 3.0 |
|
Al .0874 .1763 .6326 2.2 |
|
Si1 0 0 .0144 2.2 |
|
Si2 -.1736 .0879 .3907 2.2 |
|
O1 .1702 .3383 .6194 2.0 |
|
O2 -.0604 .2023 .4739 2.0 |
|
O3 .1905 .0413 .5488 2.0 |
|
O4 .0306 .1395 .8806 2.0 |
|
O5 -.1369 .0291 .1656 2.0 |
|
Wat1 .1336 .3338 .1281 .03 5.6 |
|
Wat2 .4419 .0987 -.0093 .31 5.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laumontite |
|
Stahl K, Artioli G, Hanson J C |
| |
Physics and Chemistry of Minerals 23 (1996) 328-336 |
|
The dehydration process in the zeolite laumontite: |
|
a real-time synchrotron X-ray powder diffraction study |
|
Sample: T = 310 K |
|
_database_code_amcsd 0007946 |
|
14.8066 13.1678 7.5389 90 110.647 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2360 .3829 .1508 1.1 |
|
Si2 .0801 .3817 .3253 1.1 |
|
Al .1306 .3106 .7384 1.1 |
|
O1 .2617 .5 .2223 .8 |
|
O2 .2086 .3738 .9304 .8 |
|
O3 .1386 .3809 .5571 .8 |
|
O4 .1485 .3444 .2080 .8 |
|
O5 .3349 .3141 .2682 .8 |
|
O6 .0403 .5 .2487 .8 |
|
O7 .0118 .3141 .7326 .8 |
|
Ca .2666 .5 .7461 3.6 |
|
OWat1 .0250 .1709 0 4.0 |
|
OWat2 .3991 .5000 .0231 4.0 |
|
OWat5 .5 .4814 .5 .89 4.0 |
|
OWat8 .1400 .1176 .3520 .94 4.0 |
|
H1 .5066 .2944 .1150 .87 5.0 |
|
H21 .4473 .4454 .0287 .67 5.0 |
|
H22 .4463 .4535 .1536 .36 5.0 |
|
H5 .4529 .5114 .3872 .45 5.0 |
|
H81 .0898 .0812 .4275 .47 5.0 |
|
H82 .1607 .1601 .4597 .94 5.0 |
|
H83 .1273 .1774 .2380 .94 5.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laumontite |
|
Stahl K, Artioli G, Hanson J C |
| |
Physics and Chemistry of Minerals 23 (1996) 328-336 |
|
The dehydration process in the zeolite laumontite: |
|
a real-time synchrotron X-ray powder diffraction study |
|
Sample: T = 367 K |
|
_database_code_amcsd 0007947 |
|
14.7612 13.0891 7.5480 90 111.804 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2378 .3822 .1597 1.2 |
|
Si2 .0801 .3846 .3261 1.2 |
|
Al .1282 .3090 .7350 1.2 |
|
O1 .2566 .5 .2247 1.4 |
|
O2 .2132 .3765 .9280 1.4 |
|
O3 .1459 .3810 .5584 1.4 |
|
O4 .1504 .3411 .2123 1.4 |
|
O5 .3344 .3176 .2620 1.4 |
|
O6 .0477 .5 .2659 1.4 |
|
O7 .0080 .3112 .7201 1.4 |
|
Ca .2703 .5 .7563 2.2 |
|
OWat1 .0250 .1700 0 .09 4.0 |
|
OWat2 .4139 .4652 .0473 .93 4.0 |
|
OWat5 .5 .4331 .5 1.05 4.0 |
|
OWat8 .1165 .1185 .2978 .96 4.0 |
|
H1 .5066 .2943 .1150 .09 5.0 |
|
H21 .4621 .4106 .0529 .61 5.0 |
|
H22 .4611 .4187 .1778 .33 5.0 |
|
H5 .4529 .4634 .3872 .53 5.0 |
|
H81 .0658 .0817 .3755 .48 5.0 |
|
H82 .1367 .1606 .4077 .96 5.0 |
|
H83 .1008 .1787 .1930 .96 5.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laumontite |
|
Stahl K, Artioli G, Hanson J C |
| |
Physics and Chemistry of Minerals 23 (1996) 328-336 |
|
The dehydration process in the zeolite laumontite: |
|
a real-time synchrotron X-ray powder diffraction study |
|
Sample: T = 425 K |
|
_database_code_amcsd 0007948 |
|
14.6967 13.0756 7.4700 90 111.785 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2379 .3819 .1590 1.6 |
|
Si2 .0775 .3845 .3206 1.6 |
|
Al .1308 .3090 .7335 1.6 |
|
O1 .2549 .5 .2145 1.5 |
|
O2 .2165 .3742 .9276 1.5 |
|
O3 .1482 .3811 .5530 1.5 |
|
O4 .1439 .3446 .1998 1.5 |
|
O5 .3324 .3176 .2700 1.5 |
|
O6 .0429 .5 .2562 1.5 |
|
O7 .0079 .3123 .7235 1.5 |
|
Ca .2720 .5 .7491 2.5 |
|
OWat2 .4182 .4724 .0780 .93 4.0 |
|
OWat5 .5 .3482 .5 .26 4.0 |
|
OWat8 .1133 .1167 .3115 .99 4.0 |
|
H21 .4664 .4178 .0836 .61 5.0 |
|
H22 .4654 .4259 .2085 .33 5.0 |
|
H5 .4529 .3782 .3872 .13 5.0 |
|
H82 .1335 .1588 .4218 .99 5.0 |
|
H83 .1001 .1761 .2001 .99 5.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laumontite |
|
Stahl K, Artioli G, Hanson J C |
| |
Physics and Chemistry of Minerals 23 (1996) 328-336 |
|
The dehydration process in the zeolite laumontite: |
|
a real-time synchrotron X-ray powder diffraction study |
|
Sample: T = 500 K |
|
_database_code_amcsd 0007949 |
|
14.5601 13.1629 7.4291 90 110.582 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2408 .3834 .1509 1.6 |
|
Si2 .0781 .3862 .3161 1.6 |
|
Al .1336 .3082 .7318 1.6 |
|
O1 .2626 .5 .2255 1.8 |
|
O2 .2178 .3793 .9271 1.8 |
|
O3 .1447 .3784 .5483 1.8 |
|
O4 .1438 .3468 .1892 1.8 |
|
O5 .3353 .3169 .2638 1.8 |
|
O6 .0431 .5 .2646 1.8 |
|
O7 .0118 .3113 .7218 1.8 |
|
Ca .2645 .5 .7261 2.6 |
|
OWat2 .4132 .4837 -.1441 .23 4.7 |
|
OWat5 .5 .3853 .5 .35 4.7 |
|
OWat8 .1047 .1237 .2688 .86 4.7 |
|
H21 .4614 .4292 -.1885 .15 5.7 |
|
H22 .4604 .4373 -.0636 .08 5.7 |
|
H5 .4529 .4153 .3872 .17 5.7 |
|
H82 .1249 .1658 .3791 .86 5.7 |
|
H83 .0915 .1831 .1574 .86 5.7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laumontite |
|
Stahl K, Artioli G, Hanson J C |
| |
Physics and Chemistry of Minerals 23 (1996) 328-336 |
|
The dehydration process in the zeolite laumontite: |
|
a real-time synchrotron X-ray powder diffraction study |
|
Sample: T = 584 K |
|
_database_code_amcsd 0007950 |
|
14.5279 13.1979 7.4370 90 110.368 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2406 .3831 .1491 1.8 |
|
Si2 .0784 .3860 .3175 1.8 |
|
Al .1323 .3082 .7325 1.8 |
|
O1 .2655 .5 .2148 1.9 |
|
O2 .2153 .3787 .9255 1.9 |
|
O3 .1473 .3785 .5483 1.9 |
|
O4 .1419 .3480 .1927 1.9 |
|
O5 .3353 .3178 .2577 1.9 |
|
O6 .0444 .5 .2673 1.9 |
|
O7 .0124 .3097 .7219 1.9 |
|
Ca .2634 .5 .7221 2.9 |
|
OWat2 .4052 .4700 -.1500 .20 6.0 |
|
OWat5 .5 .3900 .5 .19 6.0 |
|
OWat8 .1048 .1186 .2787 .77 6.0 |
|
H21 .4534 .4160 -.1550 .13 7.0 |
|
H22 .4524 .4240 -.0230 .07 7.0 |
|
H5 .4529 .4200 .3872 .10 7.0 |
|
H82 .1250 .1607 .3891 .77 7.0 |
|
H83 .0916 .1780 .1674 .77 7.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgCl2*4H2O |
| |
Sugimoto K, Dinnebier R E, Hanson J C |
 |
Acta Crystallographica B63 (2007) 235-242 |
|
Structures of three dehydration products of bischofite from in situ |
|
synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4) |
|
_database_code_amcsd 0009949 |
|
4.21616 11.0230 7.2951 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
Mg 0 .5 .0 .5 .0535 |
|
Cl 0 .3492 -.2201 .5 .0351 |
|
Wat1 .5 .5 .0 .0246 |
|
Wat2 0 .6432 -.1919 .5 .0152 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgCl2*2H2O |
| |
Sugimoto K, Dinnebier R E, Hanson J C |
|
Acta Crystallographica B63 (2007) 235-242 |
|
Structures of three dehydration products of bischofite from in situ |
|
synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4) |
|
_database_code_amcsd 0009950 |
|
7.4279 8.5736 3.65065 90 98.580 90 C2/m |
|
atom x y z Uiso |
|
Mg 0 0 0 .0329 |
|
Cl .23723 0 .5588 .0393 |
|
O 0 .2342 0 .0310 |
|
H .10575 .3038 .023 .0312 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
MgCl2*H2O |
| |
Sugimoto K, Dinnebier R E, Hanson J C |
|
Acta Crystallographica B63 (2007) 235-242 |
|
Structures of three dehydration products of bischofite from in situ |
|
synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4) |
|
_database_code_amcsd 0009951 |
|
8.9171 3.63421 11.4775 90 90 90 Pnma |
|
atom x y z Uiso |
|
Mg .1833 .25 .0192 .0466 |
|
Cl1 .3130 -.25 -.0854 .0375 |
|
Cl2 .0341 .75 .12531 .0432 |
|
O .3251 .25 .1449 .049 |
|
H1 .3038 .25 .2287 .054 |
|
H2 .4348 .25 .1396 .054 |
|
|
| 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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