|
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 |
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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)
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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 |
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Si1 .3592 .3034 .1265 .76 .023 |
|
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 |
|
Si4 -.1358 .3157 .2505 .76 .023 |
|
Al4 -.1358 .3157 .2505 .24 .023 |
|
Si5 0 .2447 0 .76 .023 |
|
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 |
|
O3 -.1206 .2747 .1693 .040 |
|
O4 -.1165 .1193 .1711 .040 |
|
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 |
|
Wat1 .110 .074 .078 .36 .120 |
|
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 |
|
Wat5 .383 .5 .082 .58 .120 |
|
Wat6 .110 .5 .051 .98 .120 |
|
Wat8 .214 0 -.100 .70 .120 |
|
|
| Download AMC data (View Text File)
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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 |
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Si1 .1383 .3289 .1327 .76 .036 |
|
Al1 .1383 .3289 .1327 .24 .036 |
|
Si1p .1372 .2897 .3782 .76 .036 |
|
Al1p .1372 .2897 .3782 .24 .036 |
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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 |
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Na1 .25 .315 .082 .06 .078 |
|
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 |
|
Ca4 .25 .5 .1119 .19 .078 |
|
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 |
|
O8 .0652 .1162 .2104 .052 |
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O9 .0672 .5 .2979 .052 |
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O10 .25 .1579 .2265 .052 |
|
Wat1 .142 0 .389 .49 .090 |
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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 |
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Si1 .1421 .3381 .1329 .76 .036 |
|
Al1 .1421 .3381 .1329 .24 .036 |
|
Si1d .1412 .4124 .1106 .76 .036 |
|
Al1d .1412 .4124 .1106 .24 .036 |
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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 |
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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 |
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Cruciani G, Gualtieri A |
|
American Mineralogist 84 (1999) 112-119 |
|
Dehydration dynamics of analcime by in situ synchrotron powder diffraction |
|
Sample at T = 298 K |
|
_database_code_amcsd 0002062 |
|
13.7295 13.7295 13.7036 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso |
|
Si1 .1243 .1609 .4141 .575 .038 |
|
Al1 .1243 .1609 .4141 .425 .038 |
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Si2 .1619 .4119 .125 .90 .039 |
|
Al2 .1619 .4119 .125 .10 .039 |
|
Na1 .1343 0 .25 .86 .083 |
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Na2 0 .25 .125 .23 .083 |
|
O1 .0990 .3734 .2188 .024 |
|
O2 .2219 .1120 .3627 .055 |
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O3 .3582 .2179 .1052 .038 |
|
Wat .1165 .1335 .125 .069 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Cruciani G, Gualtieri A |
|
American Mineralogist 84 (1999) 112-119 |
|
Dehydration dynamics of analcime by in situ synchrotron powder diffraction |
|
Sample at T = 632 K |
|
_database_code_amcsd 0002063 |
|
13.6717 13.6717 13.5996 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso |
|
Si1 .1235 .1592 .4134 .575 .058 |
|
Al1 .1235 .1592 .4134 .425 .058 |
|
Si2 .1657 .4157 .125 .90 .060 |
|
Al2 .1657 .4157 .125 .10 .060 |
|
Na11 .1167 .0197 .2249 .35 .079 |
|
Na12 .184 .182 .057 .06 .079 |
|
Na21 .060 .217 .025 .04 .079 |
|
O1 .1036 .3773 .2197 .059 |
|
O2 .2183 .1065 .3558 .068 |
|
O3 .3612 .2214 .1041 .079 |
|
Wat .085 .1647 .125 .11 .066 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Cruciani G, Gualtieri A |
|
American Mineralogist 84 (1999) 112-119 |
|
Dehydration dynamics of analcime by in situ synchrotron powder diffraction |
|
Sample at T = 921 K |
|
_database_code_amcsd 0002064 |
|
13.6251 13.6251 13.5870 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso |
|
Si1 .1222 .1638 .4133 .575 .070 |
|
Al1 .1222 .1638 .4133 .425 .070 |
|
Si2 .1595 .4095 .125 .90 .047 |
|
Al2 .1595 .4095 .125 .10 .047 |
|
Na11 .2228 .1055 .0301 .23 .104 |
|
Na12 .1698 .1736 .0696 .16 .104 |
|
Na2 0 .25 .125 .10 .104 |
|
Na3 -.005 .070 .100 .05 .104 |
|
O1 .0984 .3741 .2194 .066 |
|
O2 .2225 .1122 .3662 .085 |
|
O3 .3491 .2210 .1100 .106 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: untreated |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002264 |
|
8.133 12.773 7.159 94.23 116.64 87.72 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Allo .0090 .1684 .2085 .96 .0089 .0080 .0070 -.0013 .0042 .0005 |
|
Silo .0090 .1684 .2085 .04 .0089 .0080 .0070 -.0013 .0042 .0005 |
|
Silm .0039 .8205 .2373 .97 .0080 .0073 .0063 .0010 .0038 .0011 |
|
Allm .0039 .8205 .2373 .03 .0080 .0073 .0063 .0010 .0038 .0011 |
|
Si2o .6917 .1103 .3150 .0078 .0061 .0083 -.0008 .0034 .0006 |
|
Si2m .6815 .8818 .3608 .99 .0071 .0063 .0084 .0005 .0038 .0013 |
|
Al2m .6815 .8818 .3608 .01 .0071 .0063 .0084 .0005 .0038 .0013 |
|
Na .2681 .9888 .1462 .0152 .0476 .0320 -.0053 .0093 -.0219 |
|
OA1 .0045 .1310 .9663 .0196 .0120 .0079 .0001 .0083 .0014 |
|
OA2 .5912 .9973 .2805 .0077 .0066 .0112 .0000 .0034 .0018 |
|
OBo .8126 .1095 .1907 .0126 .0142 .0174 -.0037 .0105 -.0011 |
|
OBm .8201 .8509 .2591 .0147 .0160 .0243 .0048 .0139 .0037 |
|
OCo .0131 .3021 .2698 .0113 .0086 .0154 -.0020 .0063 -.0010 |
|
OCm .0239 .6937 .2288 .0122 .0081 .0145 .0023 .0051 .0025 |
|
ODo .2074 .1091 .3891 .0128 .0132 .0081 .0012 .0023 .0018 |
|
ODm .1832 .8678 .4365 .0141 .0136 .0095 -.0025 .0000 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1050-3d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002265 |
|
8.141 12.795 7.145 94.04 116.56 87.98 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0088 .1690 .2090 .91 .0101 .0095 .0082 -.0015 .0045 .0008 |
|
Si1o .0088 .1690 .2090 .09 .0101 .0095 .0082 -.0015 .0045 .0008 |
|
Si1m .0039 .8200 .2366 .96 .0090 .0088 .0073 .0009 .0041 .0014 |
|
Al1m .0039 .8200 .2366 .04 .0090 .0088 .0073 .0009 .0041 .0014 |
|
Si2o .6921 .1104 .3159 .98 .0089 .0082 .0094 -.0002 .0038 .0010 |
|
Al2o .6921 .1104 .3159 .02 .0089 .0082 .0094 -.0002 .0038 .0010 |
|
Si2m .6825 .8816 .3600 .97 .0086 .0082 .0098 .0006 .0042 .0016 |
|
Al2m .6825 .8816 .3600 .03 .0086 .0082 .0098 .0006 .0042 .0016 |
|
Na .2691 .9898 .1460 .0150 .0592 .0355 -.0045 .0087 -.0262 |
|
OA1 .0048 .1320 .9681 .0206 .0156 .0092 -.0002 .0079 .0012 |
|
OA2 .5935 .9971 .2807 .0101 .0090 .0138 .0000 .0045 .0027 |
|
OBo .8134 .1108 .1911 .0144 .0168 .0195 -.0039 .0112 -.0005 |
|
OBm .8205 .8513 .2573 .0158 .0189 .0246 .0043 .0135 .0014 |
|
OCo .0142 .3017 .2705 .0128 .0112 .0167 -.0024 .0062 -.0008 |
|
OCm .0240 .6933 .2296 .0126 .0101 .0150 .0026 .0037 .0018 |
|
ODo .2059 .1094 .3885 .0147 .0157 .0101 .0007 .0028 .0018 |
|
ODm .1833 .8684 .4345 .0162 .0159 .0113 -.0025 .0010 -.0014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1060-6d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002266 |
|
8.170 12.811 7.141 93.79 116.53 88.09 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0091 .1692 .2102 .84 .0121 .0097 .0094 -.0029 .0058 .0004 |
|
Si1o .0091 .1692 .2102 .16 .0121 .0097 .0094 -.0029 .0058 .0004 |
|
Si1m .0042 .8194 .2356 .93 .0108 .0097 .0085 .0013 .0052 .0011 |
|
Al1m .0042 .8194 .2356 .07 .0108 .0097 .0085 .0013 .0052 .0011 |
|
Si2o .6930 .1109 .3179 .95 .0110 .0075 .0111 -.0009 .0050 .0006 |
|
Al2o .6930 .1109 .3179 .05 .0110 .0075 .0111 -.0009 .0050 .0006 |
|
Si2m .6842 .8815 .3588 .96 .0103 .0080 .0111 -.0003 .0049 .0011 |
|
Al2m .6842 .8815 .3588 .04 .0103 .0080 .0111 -.0003 .0049 .0011 |
|
Na .2706 .9912 .1456 .0147 .0668 .0419 -.0061 .0099 -.0331 |
|
OA1 .0046 .1335 .9711 .0253 .0156 .0134 -.0016 .0116 .0021 |
|
OA2 .5944 .9964 .2813 .0122 .0091 .0169 -.0008 .0054 .0012 |
|
OBo .8144 .1126 .1936 .0177 .0191 .0230 -.0033 .0132 .0009 |
|
OBm .8211 .8515 .2553 .0192 .0189 .0305 .0032 .0170 -.0001 |
|
OCo .0154 .3013 .2697 .0146 .0147 .0194 -.0031 .0081 -.0021 |
|
OCm .0244 .6926 .2308 .0149 .0103 .0194 .0024 .0062 .0019 |
|
ODo .2036 .1111 .3900 .0173 .0146 .0137 -.0022 .0041 .0020 |
|
ODm .1830 .8683 .4330 .0165 .0171 .0118 -.0020 .0018 -.0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1070-7d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002267 |
|
8.140 12.791 7.132 93.94 116.54 88.46 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0089 .1681 .2105 .78 .0115 .0107 .0082 -.0028 .0049 .0005 |
|
Si1o .0089 .1681 .2105 .22 .0115 .0107 .0082 -.0028 .0049 .0005 |
|
Si1m .0039 .8185 .2348 .92 .0100 .0103 .0082 .0015 .0044 .0015 |
|
Al1m .0039 .8185 .2348 .08 .0100 .0103 .0082 .0015 .0044 .0015 |
|
Si2o .6921 .1100 .3172 .94 .0101 .0085 .0103 -.0010 .0042 .0007 |
|
Al2o .6921 .1100 .3172 .06 .0101 .0085 .0103 -.0010 .0042 .0007 |
|
Si2m .6837 .8807 .3585 .92 .0097 .0083 .0106 .0001 .0044 .0013 |
|
Al2m .6837 .8807 .3585 .08 .0097 .0083 .0106 .0001 .0044 .0013 |
|
Na .2704 .9937 .1441 .0161 .0811 .0470 -.0053 .0093 -.0413 |
|
OA1 .0057 .1331 .9728 .0241 .0185 .0132 -.0006 .0111 .0025 |
|
OA2 .5930 .9955 .2803 .0116 .0107 .0147 -.0011 .0042 .0024 |
|
OBo .8153 .1109 .1933 .0171 .0217 .0203 -.0054 .0120 -.0003 |
|
OBm .8206 .8501 .2546 .0173 .0207 .0252 .0034 .0134 .0009 |
|
OCo .0140 .2992 .2720 .0142 .0159 .0172 -.0030 .0060 -.0015 |
|
OCm .0237 .6920 .2279 .0156 .0111 .0176 .0022 .0049 .0019 |
|
ODo .2035 .1102 .3882 .0165 .0166 .0122 .0003 .0040 .0024 |
|
ODm .1842 .8682 .4324 .0178 .0170 .0122 -.0025 .0006 -.0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1080-7d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002268 |
|
8.142 12.782 7.136 94.00 116.51 88.13 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0089 .1687 .2098 .90 .0093 .0091 .0068 -.0018 .0037 .0005 |
|
Si1o .0089 .1687 .2098 .10 .0093 .0091 .0068 -.0018 .0037 .0005 |
|
Si1m .0041 .8193 .2357 .95 .0085 .0085 .0066 .0012 .0037 .0010 |
|
Al1m .0041 .8193 .2357 .05 .0085 .0085 .0066 .0012 .0037 .0010 |
|
Si2o .6923 .1103 .3167 .98 .0082 .0071 .0086 -.0005 .0033 .0006 |
|
Al2o .6923 .1103 .3167 .02 .0082 .0071 .0086 -.0005 .0033 .0006 |
|
Si2m .6833 .8812 .3593 .97 .0081 .0071 .0088 .0004 .0036 .0011 |
|
Al2m .6833 .8812 .3593 .03 .0081 .0071 .0088 .0004 .0036 .0011 |
|
Na .2699 .9911 .1453 .0123 .0666 .0389 -.0036 .0070 -.0326 |
|
OA1 .0048 .1323 .9700 .0197 .0161 .0102 .0004 .0083 .0027 |
|
OA2 .5941 .9966 .2812 .0105 .0081 .0129 .0003 .0041 .0024 |
|
OBo .8138 .1112 .1923 .0155 .0167 .0186 -.0037 .0108 -.0003 |
|
OBm .8203 .8504 .2558 .0152 .0198 .0246 .0042 .0135 .0009 |
|
OCo .0149 .3010 .2708 .0114 .0128 .0163 -.0022 .0053 -.0013 |
|
OCm .0237 .6928 .2291 .0116 .0104 .0155 .0021 .0031 .0011 |
|
ODo .2045 .1103 .3888 .0148 .0162 .0096 .0016 .0024 .0020 |
|
ODm .1839 .8682 .4335 .0147 .0153 .0106 -.0014 .0000 -.0007 |
|
|
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View JMOL 3-D Structure
|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1080-10d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002269 |
|
8.154 12.794 7.129 93.81 116.54 88.48 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0095 .1685 .2109 .78 .0115 .0101 .0085 -.0032 .0055 .0001 |
|
Si1o .0095 .1685 .2109 .22 .0115 .0101 .0085 -.0032 .0055 .0001 |
|
Si1m .0045 .8186 .2343 .90 .0102 .0102 .0077 .0014 .0045 .0008 |
|
Al1m .0045 .8186 .2343 .10 .0102 .0102 .0077 .0014 .0045 .0008 |
|
Si2o .6922 .1102 .3180 .94 .0098 .0078 .0110 -.0009 .0046 .0004 |
|
Al2o .6922 .1102 .3180 .06 .0098 .0078 .0110 -.0009 .0046 .0004 |
|
Si2m .6843 .8808 .3581 .94 .0094 .0080 .0110 -.0007 .0048 .0007 |
|
Al2m .6843 .8808 .3581 .06 .0094 .0080 .0110 -.0007 .0048 .0007 |
|
Na .2705 .9932 .1441 .0148 .0793 .0496 -.0074 .0010 -.0427 |
|
OA1 .0052 .1337 .9735 .0258 .0146 .0156 -.0033 .0131 .0018 |
|
OA2 .5937 .9953 .2805 .0106 .0104 .0173 -.0016 .0055 .0016 |
|
OBo .8154 .1113 .1942 .0182 .0194 .0244 -.0046 .0148 -.0007 |
|
OBm .8199 .8504 .2527 .0182 .0201 .0323 .0020 .0179 -.0014 |
|
OCo .0151 .2993 .2705 .0147 .0151 .0210 -.0047 .0083 -.0037 |
|
OCm .0247 .6920 .2284 .0149 .0115 .0192 .0030 .0055 .0012 |
|
ODo .2027 .1110 .3891 .0157 .0156 .0127 -.0010 .0040 .0018 |
|
ODm .1848 .8686 .4315 .0152 .0168 .0124 -.0013 .0005 -.0017 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1090-7d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002270 |
|
8.160 12.802 7.130 93.72 116.42 88.61 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0088 .1691 .2112 .75 .0122 .0120 .0089 -.0026 .0050 .0008 |
|
Si1o .0088 .1691 .2112 .25 .0122 .0120 .0089 -.0026 .0050 .0008 |
|
Si1m .0043 .8182 .2340 .90 .0112 .0116 .0088 .0013 .0050 .0016 |
|
Al1m .0043 .8182 .2340 .10 .0112 .0116 .0088 .0013 .0050 .0016 |
|
Si2o .6927 .1104 .3191 .92 .0109 .0091 .0115 -.0004 .0049 .0012 |
|
Al2o .6927 .1104 .3191 .08 .0109 .0091 .0115 -.0004 .0049 .0012 |
|
Si2m .6850 .8807 .3573 .93 .0107 .0090 .0114 .0007 .0047 .0015 |
|
Al2m .6850 .8807 .3573 .07 .0107 .0090 .0114 .0007 .0047 .0015 |
|
Na .2711 .9946 .1432 .0146 .0798 .0476 -.0018 .0070 -.0372 |
|
OA1 .0051 .1339 .9752 .0257 .0209 .0153 .0013 .0118 .0043 |
|
OA2 .5950 .9956 .2807 .0135 .0113 .0170 -.0002 .0053 .0027 |
|
OBo .8158 .1123 .1952 .0182 .0239 .0232 -.0D47 .0130 .0014 |
|
OBm .8204 .8510 .2519 .0177 .0218 .0294 .0045 .0150 .0018 |
|
OCo .0162 .2993 .2710 .0148 .0167 .0183 -.0026 .0054 -.0009 |
|
OCm .0236 .6920 .2292 .0145 .0132 .0187 .0027 .0048 .0017 |
|
ODo .2021 .1107 .3894 .0168 .0186 .0139 .0010 .0031 .0039 |
|
ODm .1840 .8682 .4308 .0179 .0191 .0127 -.0023 .0013 -.0009 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Albite |
|
Meneghinello E, Alberti A, Cruciani G |
|
American Mineralogist 84 (1999) 1144-1151 |
|
Order-disorder process in the tetrahedral sites af albite |
|
Sample: 1090-12d |
|
Note: this sample of feldspar is from Stintino, Sardinia, Italy |
|
_database_code_amcsd 0002271 |
|
8.152 12.831 7.110 93.46 116.52 89.72 C-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1o .0091 .1667 .2135 .43 .0117 .0130 .0096 -.0019 .0050 .0013 |
|
Si1o .0091 .1667 .2135 .57 .0117 .0130 .0096 -.0019 .0050 .0013 |
|
Si1m .0049 .8159 .2307 .75 .0112 .0126 .0093 .0026 .0050 .0020 |
|
Al1m .0049 .8159 .2307 .25 .0112 .0126 .0093 .0026 .0050 .0020 |
|
Si2o .6914 .1089 .3203 .83 .0112 .0105 .0122 .0003 .0051 .0014 |
|
Al2o .6914 .1089 .3203 .17 .0112 .0105 .0122 .0003 .0051 .0014 |
|
Si2m .6851 .8787 .3549 .85 .0114 .0100 .0121 .0010 .0052 .0020 |
|
Al2m .6851 .8787 .3549 .15 .0114 .0100 .0121 .0010 .0052 .0020 |
|
Na .2727 .0020 .1373 .0141 .1261 .0703 .0037 .0052 -.0620 |
|
OA1 .0048 .1349 .9810 .0241 .0203 .0180 .0044 .0118 .0043 |
|
OA2 .5944 .9929 .2795 .0126 .0151 .0193 .0011 .0062 .0036 |
|
OBo .8196 .1094 .1976 .0171 .0279 .0257 -.0031 .0129 .0037 |
|
OBm .8183 .8487 .2475 .0167 .0292 .0316 .0072 .0149 .0051 |
|
OCo .0177 .2929 .2740 .0147 .0213 .0191 -.0026 .0062 -.0015 |
|
OCm .0218 .6895 .2223 .0158 .0170 .0202 .0039 .0050 .0024 |
|
ODo .1983 .1113 .3889 .0181 .0204 .0151 .0031 .0058 .0043 |
|
ODm .1872 .8681 .4282 .0180 .0192 .0162 -.0007 .0032 -.0028 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 30 C |
|
_database_code_amcsd 0003188 |
|
8.6121 4.9579 7.6040 89.892 114.423 89.955 P1 |
|
atom x y z Biso |
|
Li1 .270 .395 .128 4.5 |
|
Li2 .659 .876 .831 4.5 |
|
Al13 .373 .896 .942 3.0 |
|
Al21 .880 .392 .910 3.0 |
|
Si11 .086 .871 .100 3.7 |
|
Si12 .1038 .8006 .5049 3.7 |
|
Si22 .885 .324 .491 3.7 |
|
Si23 .607 .385 .068 3.7 |
|
O11 .256 .787 .068 3.1 |
|
O12 .049 .184 .035 3.1 |
|
O13 .152 .848 .328 3.1 |
|
O14 .055 .496 .526 3.1 |
|
O15 .261 .933 .690 3.1 |
|
O16 .423 .228 .020 3.1 |
|
O21 .714 .240 .958 2.3 |
|
O22 .899 .732 .963 2.3 |
|
O23 .828 .345 .667 3.1 |
|
O24 .953 .020 .475 3.1 |
|
O25 .738 .432 .292 3.1 |
|
O26 .543 .678 .973 2.3 |
|
Wat17 .412 .366 .413 3.0 |
|
Wat27 .583 .849 .541 3.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 280 C |
|
_database_code_amcsd 0003189 |
|
8.6140 4.9721 7.5510 89.753 114.273 90.154 P1 |
|
atom x y z occ Biso |
|
Li1 .286 .374 .128 8.3 |
|
Li2 .674 .871 .843 8.3 |
|
Al13 .376 .876 .924 1.2 |
|
Al21 .883 .376 .896 1.2 |
|
Si11 .092 .863 .080 2.2 |
|
Si12 .1038 .8006 .5049 2.2 |
|
Si22 .886 .321 .487 2.2 |
|
Si23 .6120 .363 .059 2.2 |
|
O11 .251 .756 .038 2.1 |
|
O12 .063 .180 .021 2.1 |
|
O13 .134 .834 .309 2.4 |
|
O14 .051 .513 .561 2.4 |
|
O15 .252 .952 .684 2.4 |
|
O16 .437 .195 .018 2.1 |
|
O21 .728 .237 .960 2.9 |
|
O22 .912 .720 .943 2.9 |
|
O23 .806 .352 .646 2.4 |
|
O24 .961 .019 .497 2.4 |
|
O25 .715 .368 .292 2.4 |
|
O26 .554 .667 .980 2.9 |
|
Wat17 .398 .277 .411 .66 14. |
|
Wat27 .542 .810 .558 .77 14. |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 400 |
|
_database_code_amcsd 0003190 |
|
8.6269 4.9871 7.5718 89.765 114.097 90.160 P1 |
|
atom x y z occ Biso |
|
Li1 .314 .356 .160 7.1 |
|
Li2 .718 .844 .914 7.1 |
|
Al13 .384 .859 .933 3.6 |
|
Al21 .889 .336 .899 3.6 |
|
Si11 .102 .851 .078 5.6 |
|
Si12 .1038 .8006 .5049 5.6 |
|
Si22 .883 .292 .484 5.6 |
|
Si23 .617 .334 .074 5.6 |
|
O11 .246 .706 .020 4.6 |
|
O12 .085 .179 .029 4.6 |
|
O13 .124 .819 .301 5.0 |
|
O14 .024 .522 .538 5.0 |
|
O15 .266 .882 .695 5.0 |
|
O16 .436 .188 .014 4.6 |
|
O21 .723 .242 .951 4.2 |
|
O22 .936 .673 .952 4.2 |
|
O23 .813 .343 .650 5.0 |
|
O24 .946 .985 .489 5.0 |
|
O25 .736 .419 .296 5.0 |
|
O26 .550 .629 .975 4.2 |
|
Wat17 .526 .333 .416 .36 15. |
|
Wat27 .633 .793 .625 .41 15. |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 468 |
|
_database_code_amcsd 0003191 |
|
8.6274 4.9898 7.5729 89.737 114.072 90.169 P1 |
|
atom x y z Biso |
|
Li1 .320 .352 .167 7.2 |
|
Li2 .718 .859 .911 7.2 |
|
Al13 .377 .874 .931 4.1 |
|
Al21 .891 .357 .895 4.1 |
|
Si11 .105 .866 .090 4.5 |
|
Si12 .1038 .8006 .5049 4.5 |
|
Si22 .886 .313 .494 4.5 |
|
Si23 .618 .367 .068 4.5 |
|
O11 .264 .727 .055 4.3 |
|
O12 .083 .191 .039 4.3 |
|
O13 .135 .808 .310 5.0 |
|
O14 .044 .520 .559 5.0 |
|
O15 .267 .914 .687 5.0 |
|
O16 .445 .190 .018 4.3 |
|
O21 .738 .246 .972 4.6 |
|
O22 .938 .684 .972 4.6 |
|
O23 .795 .326 .644 5.0 |
|
O24 .954 .012 .479 5.0 |
|
O25 .721 .380 .299 5.0 |
|
O26 .559 .673 .997 4.6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Wat represents an unknown distribution across the Wat sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-RT, T = 25 C |
|
_database_code_amcsd 0003579 |
|
20.291 23.840 12.807 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18888 .18535 .6719 .24 .0252 .0267 .020 .0284 -.0007 .0024 -.0020 |
|
Si1 .18888 .18535 .6719 .76 .0252 .0267 .020 .0284 -.0007 .0024 -.0020 |
|
Al2 .19034 .02428 .3298 .33 .0276 .030 .0295 .0222 .0003 -.0020 -.0014 |
|
Si2 .19034 .02428 .3298 .67 .0276 .030 .0295 .0222 .0003 -.0020 -.0014 |
|
Al3 .07700 .18526 .8355 .26 .0250 .0264 .019 .0295 .0005 .0002 .0010 |
|
Si3 .07700 .18526 .8355 .74 .0250 .0264 .019 .0295 .0005 .0002 .0010 |
|
Al4 .07744 .02186 .1645 .26 .0257 .025 .0285 .0232 .0005 .0005 .0005 |
|
Si4 .07744 .02186 .1645 .74 .0257 .025 .0285 .0232 .0005 .0005 .0005 |
|
Al5 .22159 .08334 .5383 .07 .0257 .026 .024 .0262 -.0005 .0007 -.0032 |
|
Si5 .22159 .08334 .5383 .93 .0257 .026 .024 .0262 -.0005 .0007 -.0032 |
|
Al6 .12247 .08391 .9660 .05 .0250 .025 .023 .0262 -.0007 -.0000 .0047 |
|
Si6 .12247 .08391 .9660 .95 .0250 .025 .023 .0262 -.0007 -.0000 .0047 |
|
O1 .1887 .25 .6288 .039 .062 .019 .03577 .000 .00593 .000 |
|
O2 .1191 .1713 .7297 .044 .044 .041 .046 -.002 .010 -.004 |
|
O3 .1962 .1456 .5686 .044 .057 .032 .041 .006 .000 -.006 |
|
O4 .1897 .0703 .4254 .048 .065 .046 .033 .001 -.006 -.009 |
|
O5 .1183 .0321 .2727 .048 .038 .067 .038 -.000 -.006 -.006 |
|
O6 .0899 .25 .8737 .035 .042 .023 .03829 .000 -.00304 .000 |
|
O7 0 .1755 .8034 .043 .027 .044 .055 .000 0 -.010 |
|
O8 0 .0258 .1946 .048 .031 .070 .041 .000 0 .003 |
|
O9 .1960 .0388 .6221 .059 .099 .037 .039 -.005 .014 .008 |
|
O10 .0986 .1457 .9338 .048 .071 .029 .042 .002 -.005 .006 |
|
O11 .0950 .0721 .0820 .052 .073 .044 .037 -.004 .016 .009 |
|
O12 .2005 .0819 .9702 .078 .025 .099 .110 -.002 .000 .039 |
|
O13 .0952 .0385 .8859 .058 .096 .032 .045 -.005 -.016 -.010 |
|
O14 .25 .1752 .75 .051 .049 .048 .053 .000 -.019 .000 |
|
O15 .25 -.0395 .75 .054 .046 .071 .043 .000 -.005 .000 |
|
Wat1 0 .179 .108 .48 .144 |
|
Wat2 .190 .162 .207 .42 .101 |
|
Wat3 .194 .25 .045 .47 .110 |
|
Wat4 .110 .165 .403 .38 .131 |
|
Wat5 0 .164 .592 .36 .113 |
|
Wat6 0 .030 .410 .42 .137 |
|
Wat7 .071 .124 .402 .36 .109 |
|
Wat8 .050 .076 .619 .40 .140 |
|
Wat9 .153 .25 .235 .32 .057 |
|
Wat10 .130 .25 .082 .37 .144 |
|
Wat11 .208 .25 .405 .21 .125 |
|
Wat12 .197 .25 .233 .37 .091 |
|
Wat13 0 .086 .414 .24 .103 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-150, T = 150 C |
|
_database_code_amcsd 0003580 |
|
20.299 23.746 12.814 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18772 .18509 .6730 .22 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 |
|
Si1 .18772 .18509 .6730 .78 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 |
|
Al2 .18924 .02419 .3300 .30 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 |
|
Si2 .18924 .02419 .3300 .70 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 |
|
Al3 .07707 .18423 .8381 .23 .0358 .0334 .0284 .0454 .0007 .0024 .0038 |
|
Si3 .07707 .18423 .8381 .77 .0358 .0334 .0284 .0454 .0007 .0024 .0038 |
|
Al4 .07787 .02185 .1628 .23 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 |
|
Si4 .07787 .02185 .1628 .77 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 |
|
Al5 .21928 .08334 .5382 .04 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 |
|
Si5 .21928 .08334 .5382 .96 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 |
|
Al6 .12439 .08374 .9624 .03 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 |
|
Si6 .12439 .08374 .9624 .97 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 |
|
O1 .1827 .25 .6340 .055 .081 .032 .050 0 .003 0 |
|
O2 .1190 .1666 .7333 .055 .049 .052 .062 -.004 .015 -.005 |
|
O3 .1948 .1453 .5706 .060 .085 .042 .052 .013 .000 -.017 |
|
O4 .1922 .0710 .4228 .059 .080 .051 .044 .002 -.015 -.011 |
|
O5 .1170 .0315 .2726 .065 .057 .086 .052 .008 -.016 -.011 |
|
O6 .0880 .25 .8667 .058 .075 .029 .069 0 .004 0 |
|
O7 0 .1696 .8097 .063 .033 .062 .092 0 0 .006 |
|
O8 0 .0261 .1915 .071 .030 .090 .091 0 0 -.017 |
|
O9 .1869 .0393 .6189 .073 .113 .051 .053 -.013 .015 .003 |
|
O10 .1020 .1467 .9367 .062 .095 .035 .054 .009 -.009 .006 |
|
O11 .0985 .0678 .0756 .071 .103 .061 .047 -.005 .014 .017 |
|
O12 .2029 .0778 .9580 .091 .040 .122 .111 -.002 -.003 .028 |
|
O13 .0925 .0427 .8759 .068 .087 .047 .068 -.010 -.004 -.014 |
|
O14 .25 .1756 .75 .064 .055 .055 .081 0 -.021 0 |
|
O15 .25 -.0320 .75 .073 .055 .110 .053 0 -.015 0 |
|
Ca1 .0717 .0787 .6767 .278 .068 .075 .048 .080 -.009 -.018 .005 |
|
Ca2 0 .0278 .3690 .031 .059 |
|
Ca3 0 .1453 .0865 .083 .083 |
|
Wat1 .038 .077 .639 .31 .115 |
|
Wat2 .297 .226 .493 .14 .109 |
|
Wat3 .051 .079 .483 .16 .126 |
|
Wat4 0 .151 .588 .09 .123 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-350, T = 350 C |
|
_database_code_amcsd 0003581 |
|
20.053 23.838 12.850 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18703 .18526 .6745 .23 .0381 .0419 .0319 .0404 .0013 .0009 -.0040 |
|
Si1 .18703 .18526 .6745 .77 .0381 .0419 .0319 .0404 .0013 .0009 -.0040 |
|
Al2 .18929 .02486 .3301 .31 .0413 .0460 .0458 .0319 .0025 -.0037 -.0033 |
|
Si2 .18929 .02486 .3301 .69 .0413 .0460 .0458 .0319 .0025 -.0037 -.0033 |
|
Al3 .07692 .18450 .8410 .23 .0412 .0367 .0322 .0547 .0020 .0046 .0066 |
|
Si3 .07692 .18450 .8410 .77 .0412 .0367 .0322 .0547 .0020 .0046 .0066 |
|
Al4 .07832 .02062 .1630 .20 .0391 .0339 .0463 .0368 .0000 -.0000 .0008 |
|
Si4 .07832 .02062 .1630 .80 .0391 .0339 .0463 .0368 .0000 -.0000 .0008 |
|
Al5 .21870 .08387 .5390 .05 .0407 .0439 .0396 .0383 -.0030 .0002 -.0079 |
|
Si5 .21870 .08387 .5390 .95 .0407 .0439 .0396 .0383 -.0030 .0002 -.0079 |
|
Al6 .12429 .08451 .9639 .04 .0443 .0462 .0404 .0460 -.0038 -.0042 .0075 |
|
Si6 .12429 .08451 .9639 .96 .0443 .0462 .0404 .0460 -.0038 -.0042 .0075 |
|
O1 .1823 .25 .6386 .058 .082 .034 .056 0 .002 0 |
|
O2 .1200 .1655 .7383 .063 .061 .058 .070 -.006 .019 -.004 |
|
O3 .1922 .1439 .5741 .066 .087 .052 .057 .011 -.000 -.020 |
|
O4 .1916 .0690 .4263 .067 .088 .061 .050 .002 -.014 -.017 |
|
O5 .1176 .0301 .2715 .072 .060 .098 .057 .007 -.017 -.008 |
|
O6 .0873 .25 .8671 .066 .081 .034 .083 0 .002 0 |
|
O7 0 .1689 .8104 .068 .032 .076 .094 0 0 -.000 |
|
O8 0 .0221 .1882 .085 .039 .114 .100 0 0 -.021 |
|
O9 .1902 .0398 .6243 .087 .142 .057 .060 -.019 .014 .009 |
|
O10 .1007 .1465 .9392 .071 .104 .042 .064 .004 -.007 .011 |
|
O11 .0987 .0650 .0743 .078 .105 .071 .056 -.004 .015 .024 |
|
O12 .2030 .0806 .9588 .106 .041 .148 .128 -.004 -.011 .036 |
|
O13 .0950 .0439 .8735 .078 .104 .055 .073 -.020 -.004 -.014 |
|
O14 .25 .1745 .75 .071 .061 .074 .077 0 -.027 0 |
|
O15 .25 -.0339 .75 .079 .059 .120 .056 0 -.019 0 |
|
Ca1 .0785 .0797 .6956 .284 .084 .124 .055 .072 -.012 -.020 .003 |
|
Ca2 0 .0859 .7456 .135 .115 |
|
Ca3 0 .1388 .0729 .028 .070 |
|
Ca3b 0 .0862 -.0469 .022 .062 |
|
Ca4 .1944 .0807 .7831 .109 .069 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-500, T = 500 C |
|
_database_code_amcsd 0003582 |
|
20.041 23.814 12.869 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18720 .18501 .6746 .22 .0427 .0475 .0363 .0441 .0009 .0012 -.0054 |
|
Si1 .18720 .18501 .6746 .78 .0427 .0475 .0363 .0441 .0009 .0012 -.0054 |
|
Al2 .18952 .02465 .3305 .30 .04557 .0487 .0519 .0359 .0024 -.0051 -.0027 |
|
Si2 .18952 .02465 .3305 .70 .04557 .0487 .0519 .0359 .0024 -.0051 -.0027 |
|
Al3 .07665 .18452 .8404 .24 .0463 .0405 .0371 .0613 .0023 .0061 .0073 |
|
Si3 .07665 .18452 .8404 .76 .0463 .0405 .0371 .0613 .0023 .0061 .0073 |
|
Al4 .07831 .01987 .1633 .23 .0442 .0380 .0533 .0410 -.0003 .0009 .0013 |
|
Si4 .07831 .01987 .1633 .77 .0442 .0380 .0533 .0410 -.0003 .0009 .0013 |
|
Al5 .21889 .08420 .5376 .04 .0448 .0468 .0451 .0422 -.0024 .0002 -.0080 |
|
Si5 .21889 .08420 .5376 .96 .0448 .0468 .0451 .0422 -.0024 .0002 -.0080 |
|
Al6 .12373 .08518 .9669 .04 .0483 .0489 .0459 .0499 -.0042 -.0044 .0081 |
|
Si6 .12373 .08518 .9669 .96 .0483 .0489 .0459 .0499 -.0042 -.0044 .0081 |
|
O1 .1841 .25 .6405 .067 .094 .036 .069 0 .004 0 |
|
O2 .1208 .1660 .7388 .072 .068 .067 .080 -.007 .024 -.007 |
|
O3 .1924 .1442 .5740 .072 .095 .057 .063 .012 -.001 -.021 |
|
O4 .1905 .0685 .4266 .072 .092 .070 .053 .004 -.014 -.021 |
|
O5 .1181 .0280 .2720 .077 .064 .106 .059 .003 -.018 -.006 |
|
O6 .0868 .25 .8666 .076 .095 .037 .094 0 .004 0 |
|
O7 0 .1687 .8087 .075 .037 .081 .104 0 0 .002 |
|
O8 0 .0194 .1903 .087 .046 .117 .098 0 0 -.006 |
|
O9 .1948 .0400 .6247 .100 .170 .062 .068 -.021 .017 .010 |
|
O10 .0991 .1465 .9394 .080 .113 .050 .075 .006 -.010 .016 |
|
O11 .0966 .0662 .0774 .081 .104 .077 .061 -.006 .015 .021 |
|
O12 .2027 .0829 .9641 .115 .041 .168 .133 -.005 -.006 .036 |
|
O13 .0967 .0436 .8776 .088 .122 .064 .077 -.018 -.007 -.013 |
|
O14 .25 .1716 .75 .079 .068 .084 .084 0 -.033 0 |
|
O15 .25 -.0344 .75 .088 .064 .135 .064 0 -.020 0 |
|
Ca1 .0772 .0803 .7043 .243 .098 .147 .063 .084 -.010 -.036 .003 |
|
Ca2 0 .0858 .7532 .120 .110 |
|
Ca3 0 .1267 .0550 .023 .066 |
|
Ca4 .1929 .0789 .7779 .166 .074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-150-R, T = 150 C |
|
_database_code_amcsd 0003583 |
|
20.087 23.800 12.805 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18746 .18525 .6732 .23 .0350 .0373 .0286 .0390 .0004 .0040 -.0033 |
|
Si1 .18746 .18525 .6732 .77 .0350 .0373 .0286 .0390 .0004 .0040 -.0033 |
|
Al2 .18913 .02434 .3300 .31 .0375 .0420 .0394 .0308 .0016 -.0062 -.0018 |
|
Si2 .18913 .02434 .3300 .69 .0375 .0420 .0394 .0308 .0016 -.0062 -.0018 |
|
Al3 .07719 .18446 .8389 .24 .0357 .0326 .0277 .0466 .0021 .0018 .0037 |
|
Si3 .07719 .18446 .8389 .76 .0357 .0326 .0277 .0466 .0021 .0018 .0037 |
|
Al4 .07795 .02185 .1630 .22 .0340 .0314 .0380 .0324 .0011 -.0002 .0022 |
|
Si4 .07795 .02185 .1630 .78 .0340 .0314 .0380 .0324 .0011 -.0002 .0022 |
|
Al5 .21920 .08338 .5392 .06 .0351 .0358 .0341 .0351 -.0020 .0004 -.0065 |
|
Si5 .21920 .08338 .5392 .94 .0351 .0358 .0341 .0351 -.0020 .0004 -.0065 |
|
Al6 .12437 .08371 .9614 .01 .0363 .0371 .0330 .0386 -.0021 -.0022 .0065 |
|
Si6 .12437 .08371 .9614 .99 .0363 .0371 .0330 .0386 -.0021 -.0022 .0065 |
|
O1 .1822 .25 .6347 .053 .079 .028 .050 0 .004 0 |
|
O2 .1191 .1664 .7341 .054 .047 .053 .059 -.004 .012 -.006 |
|
O3 .1942 .1448 .5714 .061 .085 .042 .054 .014 -.001 -.017 |
|
O4 .1927 .0704 .4237 .060 .083 .052 .043 .001 -.017 -.014 |
|
O5 .1165 .0316 .2729 .065 .061 .084 .050 .012 -.016 -.009 |
|
O6 .0885 .25 .8668 .058 .077 .029 .065 0 .002 0 |
|
O7 0 .1702 .8095 .061 .027 .069 .087 0 0 .012 |
|
O8 0 .0265 .1906 .072 .034 .088 .093 0 0 -.022 |
|
O9 .1863 .0395 .6210 .075 .116 .050 .057 -.014 .017 .004 |
|
O10 .1019 .1463 .9374 .060 .089 .034 .055 .005 -.009 .007 |
|
O11 .0995 .0667 .0749 .071 .103 .061 .047 -.006 .016 .017 |
|
O12 .2026 .0782 .9558 .092 .038 .118 .117 -.001 -.001 .025 |
|
O13 .0925 .0430 .8741 .068 .088 .046 .068 -.010 -.005 -.012 |
|
O14 .25 .1761 .75 .062 .051 .055 .080 0 -.016 0 |
|
O15 .25 -.0328 .75 .073 .056 .107 .054 0 -.010 0 |
|
Ca1 .0727 .0791 .6767 .289 .071 .080 .045 .086 -.006 -.013 .008 |
|
Ca2 0 .0161 .3770 .034 .085 |
|
Ca3 0 .142 .087 .063 .081 |
|
Wat1 .039 .078 .644 .38 .134 |
|
Wat2 .301 .218 .514 .12 .097 |
|
Wat3 .050 .078 .491 .19 .127 |
|
Wat4 0 .138 .589 .06 .101 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-RT-R, T = 25 C |
|
_database_code_amcsd 0003584 |
|
20.295 23.843 12.802 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18883 .18540 .6721 .26 .0257 .028 .022 .026 -.0004 .0011 -.0022 |
|
Si1 .18883 .18540 .6721 .74 .0257 .028 .022 .026 -.0004 .0011 -.0022 |
|
Al2 .19043 .02428 .3300 .32 .0258 .031 .030 .020 .0003 -.0016 -.0009 |
|
Si2 .19043 .02428 .3300 .68 .0258 .031 .030 .020 .0003 -.0016 -.0009 |
|
Al3 .07696 .18537 .8355 .26 .0255 .027 .019 .029 .0006 -.0000 .0013 |
|
Si3 .07696 .18537 .8355 .74 .0255 .027 .019 .029 .0006 -.0000 .0013 |
|
Al4 .07748 .02163 .1648 .26 .0262 .026 .030 .021 .0002 .0007 .0010 |
|
Si4 .07748 .02163 .1648 .74 .0262 .026 .030 .021 .0002 .0007 .0010 |
|
Al5 .2219 .08343 .5383 .07 .0271 .028 .027 .025 -.0011 .0007 -.0036 |
|
Si5 .2219 .08343 .5383 .93 .0271 .028 .027 .025 -.0011 .0007 -.0036 |
|
Al6 .1221 .08402 .9664 .06 .0272 .029 .024 .027 -.0006 -.0001 .0046 |
|
Si6 .1221 .08402 .9664 .94 .0272 .029 .024 .027 -.0006 -.0001 .0046 |
|
O1 .1881 .25 .6282 .039 .060 .025 .033 0 .004 0 |
|
O2 .1190 .1709 .7304 .045 .046 .041 .046 -.004 .013 -.005 |
|
O3 .1957 .1454 .5687 .043 .060 .032 .035 .005 .002 -.005 |
|
O4 .1896 .0700 .4260 .047 .061 .045 .034 .003 -.008 -.009 |
|
O5 .1184 .0316 .2731 .049 .036 .070 .038 0 -.009 -.007 |
|
O6 .0899 .25 .8736 .036 .043 .024 .039 0 -.005 0 |
|
O7 0 .1755 .8031 .043 .025 .043 .061 0 0 -.011 |
|
O8 0 .0254 .1961 .048 .027 .075 .041 0 0 .003 |
|
O9 .1973 .0390 .6230 .060 .102 .038 .039 -.006 .012 .007 |
|
O10 .0980 .1458 .9342 .049 .073 .030 .041 .006 -.007 .007 |
|
O11 .0944 .0721 .0828 .052 .073 .043 .037 -.003 .016 .007 |
|
O12 .2002 .0826 .9715 .082 .027 .108 .109 -.000 .002 .040 |
|
O13 .0961 .0386 .8859 .058 .093 .032 .048 -.006 -.011 -.010 |
|
O14 .25 .1758 .75 .052 .046 .055 .053 0 -.020 0 |
|
O15 .25 -.0401 .75 .055 .046 .072 .045 0 -.010 0 |
|
Wat1 0 .179 .116 .35 .128 |
|
Wat2 .191 .162 .209 .29 .108 |
|
Wat3 .191 .25 .045 .34 .105 |
|
Wat4 .103 .158 .406 .26 .105 |
|
Wat5 0 .172 .578 .28 .100 |
|
Wat6 0 .032 .403 .336 .104 |
|
Wat7 .069 .123 .400 .35 .098 |
|
Wat8 .055 .0781 .618 .34 .102 |
|
Wat9 .155 .25 .123 .386 .058 |
|
Wat10 .125 .25 .108 .27 .121 |
|
Wat11 .194 .25 .140 .22 .143 |
|
Wat12 .200 .25 .122 .28 .089 |
|
Wat13 0 .103 .395 .24 .104 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Natrolite |
|
Alberti A, Cruciani G, Dauru I |
| |
European Journal of Mineralogy 7 (1995) 501-508 |
|
Order-disorder in natrolite-group minerals |
|
_database_code_amcsd 0006590 |
|
18.347 18.561 6.587 90 90 90 Fdd2 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .2208 .0301 .6209 1.22 .0162 .0166 .0207 -.0021 -.0027 -.0023 |
|
Si1 0 0 0 .765 .61 .0088 .0089 .0055 0 0 0 |
|
Al1 0 0 0 .235 .61 .0088 .0089 .0055 0 0 0 |
|
Si2 .1542 .2113 .6251 .815 .52 .0060 .0078 .0070 -.0005 .0000 -.0006 |
|
Al2 .1542 .2113 .6251 .185 .52 .0060 .0078 .0070 -.0005 .0000 -.0006 |
|
Al .0378 .0940 .6179 .661 .54 .0084 .0063 .0071 -.0003 -.0004 -.0006 |
|
Si .0378 .0940 .6179 .339 .54 .0084 .0063 .0071 -.0003 -.0004 -.0006 |
|
O1 .0229 .0693 .8640 1.28 .026 .012 .013 -.002 .001 -.000 |
|
O2 .0704 .1804 .6169 .79 .009 .009 .013 -.001 -.001 .000 |
|
O3 .0981 .0362 .5062 1.13 .012 .012 .018 .002 .001 -.004 |
|
O4 .2088 .1529 .7306 1.12 .014 .012 .015 .001 -.003 .001 |
|
O5 .1797 .2274 .3920 1.37 .014 .025 .012 -.002 .003 .000 |
|
OW .0570 .1910 .1180 2.02 .025 .024 .025 .002 -.001 -.001 |
|
H1 .058 .156 .078 1.7 |
|
H2 .095 .190 .191 .7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Ca |
| |
Cappelletti P, Langella A, Cruciani G |
| |
European Journal of Mineralogy 11 (1999) 1051-1060 |
|
Crystal-chemistry and synchrotron Rietveld refinement |
|
of two different clinoptilolites from volcanoclastites |
|
of North-Western Sardinia |
|
Sample: LAC1 |
|
Locality: volcanoclastites of North-Western Sardinia |
|
_database_code_amcsd 0006812 |
|
17.6750 17.9572 7.4091 90 116.304 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 .138 0 .692 .33 .05 |
|
Ca2 .047 .5 .196 .43 .07 |
|
K3 .242 .5 .041 .32 .03 |
|
Mg4 0 0 .5 .26 .06 |
|
Si1 .1783 .1704 .0982 .01 |
|
Si2 .2119 .4118 .5060 .02 |
|
Si3 .2098 .1914 .7103 .02 |
|
Si4 .0686 .2998 .4192 .01 |
|
Si5 0 .2185 0 .01 |
|
O1 .1941 .5 .4597 .02 |
|
O2 .2316 .1242 .6019 .02 |
|
O3 .1842 .1575 .8819 .03 |
|
O4 .2323 .1046 .2493 .03 |
|
O5 0 .3275 .5 .03 |
|
O6 .0785 .1599 .0599 .01 |
|
O7 .1265 .2342 .5573 .03 |
|
O8 .0114 .2769 .1830 .01 |
|
O9 .2113 .2526 .1843 .02 |
|
O10 .1169 .3764 .4214 .02 |
|
Wat1 .321 0 .073 .68 .12 |
|
Wat2 .131 0 .926 .30 .07 |
|
Wat3 .081 .414 .961 .11 |
|
Wat4 .5 0 .5 .03 |
|
Wat5 .016 .096 .414 .5 .07 |
|
Wat6 .091 0 .316 .5 .20 |
|
Wat7 .085 0 .704 .5 .12 |
|
Wat8 .051 0 .099 .49 .15 |
|
Wat9 .149 0 .624 .48 .17 |
|
Wat10 .008 0 .753 .26 .13 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Ca |
| |
Cappelletti P, Langella A, Cruciani G |
| |
European Journal of Mineralogy 11 (1999) 1051-1060 |
|
Crystal-chemistry and synchrotron Rietveld refinement |
|
of two different clinoptilolites from volcanoclastites |
|
of North-Western Sardinia |
|
Sample: ZC16 |
|
Locality: volcanoclastites of North-Western Sardinia |
|
_database_code_amcsd 0006813 |
|
17.6589 17.9241 7.4034 90 116.243 90 C2/m |
|
atom x y z occ Uiso |
|
Na1 .157 0 .590 .13 .04 |
|
Ca2 .043 .5 .179 .37 .10 |
|
K3 .234 .5 .038 .61 .07 |
|
Si1 .1795 .1713 .0990 .01 |
|
Si2 .2103 .4119 .5035 .02 |
|
Si3 .2074 .1892 .7067 .02 |
|
Si4 .0682 .2993 .4188 .01 |
|
Si5 0 .2170 0 .01 |
|
O1 .1872 .5 .4726 .02 |
|
O2 .2367 .1240 .6081 .03 |
|
O3 .1917 .1530 .8916 .03 |
|
O4 .2349 .1059 .2535 .03 |
|
O5 0 .3282 .5 .04 |
|
O6 .0799 .1595 .0569 .01 |
|
O7 .1275 .2347 .5541 .03 |
|
O8 .0168 .2771 .1818 .01 |
|
O9 .2139 .2532 .1927 .02 |
|
O10 .1169 .3764 .4214 .03 |
|
Wat1 .335 0 .092 .38 .09 |
|
Wat2 .118 0 .864 .44 .06 |
|
Wat3 .082 .408 .964 1.05 .14 |
|
Wat4 .5 0 .5 .03 |
|
Wat5 .027 .108 .396 .51 .04 |
|
Wat6 .125 0 .357 .37 .05 |
|
Wat7 .072 0 .683 .69 .22 |
|
Wat8 .055 0 .154 .93 .17 |
|
Wat9 .149 0 .682 .73 .11 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Barrerite |
|
Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G, |
|
Ciambelli P, Rapascciuolo M T |
| |
European Journal of Mineralogy 12 (2000) 1123-1129 |
|
Single crystal neutron diffraction study of the natural zeolite barrerite |
|
in its ND4-exchanged form |
|
_database_code_amcsd 0006847 |
|
13.601 18.232 17.810 90 90 90 Fmmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .3856 .3077 .3761 .7915 .027 .036 .040 0 -.002 -.002 |
|
AlT1 .3856 .3077 .3761 .2085 .027 .036 .040 0 -.002 -.002 |
|
SiT3 .3010 .4107 .5 .7915 .028 .035 .040 -.003 0 0 |
|
AlT3 .3010 .4107 .5 .2085 .028 .035 .040 -.003 0 0 |
|
SiT4 .3882 .1840 .5 .7915 .024 .037 .036 .006 0 0 |
|
AlT4 .3882 .1840 .5 .2085 .024 .037 .036 .006 0 0 |
|
SiT5 .25 .25 .25 .7915 .020 .057 .029 0 0 0 |
|
AlT5 .25 .25 .25 .2085 .020 .057 .029 0 0 0 |
|
O1 .3176 .3042 .3013 .046 .063 .055 -.011 -.015 .017 |
|
O3 .3720 .2318 .4256 .041 .063 .058 -.009 -.008 .021 |
|
O4 .3563 .3799 .4247 .064 .059 .070 -.009 .024 -.020 |
|
O7 .5 .3162 .3489 .032 .058 .061 0 0 -.003 |
|
O8 .3153 .1138 .5 .033 .043 .075 -.005 0 0 |
|
O9 .3093 .5 .5 .047 .037 .075 0 0 0 |
|
O10 .5 .1506 .5 .023 .056 .054 0 0 0 |
|
Wat1 .461 .122 .306 .21 .062 |
|
Wat2 .5 .130 .307 .25 .036 |
|
Wat3 .474 0 .431 .34 .14 |
|
Wat4 .405 0 .386 .26 .11 |
|
Wat6 .389 0 .319 .19 .07 |
|
Wat8 .5 .5 .372 .058 .049 .13 0 0 0 |
|
Wat11 .398 .094 .316 .15 .08 |
|
NaC1 .5 0 .291 .10625 .03 |
|
KC1 .5 0 .291 .03 .03 |
|
MgC1 .5 0 .291 .0475 .03 |
|
CaC1 .5 0 .291 .1625 .03 |
|
BaC1 .5 0 .291 .0025 .03 |
|
NH4C2 .291 .058 .292 .00875 .13 |
|
ND42 .5 .090 .273 .12 .19 |
|
ND43 .337 .028 .234 .11 .12 |
|
ND44 .338 .068 .331 .15 .09 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 323 K |
|
_database_code_amcsd 0006967 |
|
9.1001 17.7564 10.2380 90 124.624 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7516 0 .2478 .47 .070 |
|
Ca2 .7464 0 .5106 .25 .093 |
|
AlT1 .0044 .0886 .1664 .242 .031 |
|
SiT1 .0044 .0886 .1664 .758 .031 |
|
AlT2 .2990 .2085 .3879 .242 .031 |
|
SiT2 .2990 .2085 .3879 .758 .031 |
|
AlT3 .7192 .1970 .1069 .242 .031 |
|
SiT3 .7192 .1970 .1069 .758 .031 |
|
O1 .0253 0 .2183 .070 |
|
O2 0 .0950 0 .070 |
|
O3 .8076 .1146 .1276 .070 |
|
O4 .1696 .1345 .3174 .070 |
|
O5 .5 .1810 0 .070 |
|
O6 .5 .1666 .5 .070 |
|
O7 .75 .25 0 .070 |
|
O8 .7660 .2198 .2817 .070 |
|
O9 .25 .25 .5 .070 |
|
Wat1 .5 0 .5 .128 |
|
Wat2 0 .0805 .5 .95 .083 |
|
Wat3 .5702 .0889 .2895 .97 .182 |
|
Wat4 .5 0 0 .117 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 429 K |
|
_database_code_amcsd 0006968 |
|
9.1014 17.7326 10.2378 90 124.607 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7409 0 .2338 .47 .067 |
|
Ca2 .7425 0 .5109 .28 .070 |
|
AlT1 .0040 .0868 .1645 .242 .033 |
|
SiT1 .0040 .0868 .1645 .758 .033 |
|
AlT2 .2982 .2079 .3869 .242 .033 |
|
SiT2 .2982 .2079 .3869 .758 .033 |
|
AlT3 .7165 .1950 .1032 .242 .033 |
|
SiT3 .7165 .1950 .1032 .758 .033 |
|
O1 .0263 0 .2180 .072 |
|
O2 0 .0919 0 .072 |
|
O3 .8089 .1126 .1279 .072 |
|
O4 .1699 .1320 .3161 .072 |
|
O5 .5 .1806 0 .072 |
|
O6 .5 .1655 .5 .072 |
|
O7 .75 .25 0 .072 |
|
O8 .7618 .2201 .2768 .072 |
|
O9 .25 .25 .5 .072 |
|
Wat1 .5 0 .5 .94 .177 |
|
Wat2 0 .0720 .5 .91 .170 |
|
Wat3 .5628 .0788 .2864 .78 .183 |
|
Wat4 .5 0 0 .106 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 528 K |
|
_database_code_amcsd 0006969 |
|
9.0935 17.6912 10.2094 90 124.569 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1 .7460 0 .2378 .41 .077 |
|
Ca2 .7250 0 .4968 .29 .155 |
|
AlT1 .0102 .0859 .1683 .242 .035 |
|
SiT1 .0102 .0859 .1683 .758 .035 |
|
AlT2 .2926 .2087 .3850 .242 .035 |
|
SiT2 .2926 .2087 .3850 .758 .035 |
|
AlT3 .7164 .1956 .1036 .242 .035 |
|
SiT3 .7164 .1956 .1036 .758 .035 |
|
O1 .0399 0 .2331 .068 |
|
O2 0 .0761 0 .068 |
|
O3 .8152 .1157 .1282 .068 |
|
O4 .1717 .1344 .3080 .068 |
|
O5 .5 .1788 0 .068 |
|
O6 .5 .1738 .5 .068 |
|
O7 .75 .25 0 .068 |
|
O8 .7654 .2184 .2793 .068 |
|
O9 .25 .25 .5 .068 |
|
Wat1 .5 0 .5 .83 .186 |
|
Wat2 0 .1016 .5 .66 .140 |
|
Wat3 .5770 .0846 .3205 .49 .188 |
|
Wat4 .5 0 0 .71 .130 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Cruciani G, Martucci A, Meneghini C |
| |
European Journal of Mineralogy 15 (2003) 257-266 |
|
Dehydration dynamics of epistilbite by in situ time resolved synchrotron |
|
powder diffraction |
|
T = 666 K |
|
_database_code_amcsd 0006970 |
|
8.845 16.607 9.746 90 123.19 90 C2/m |
|
atom x y z occ Uiso |
|
Ca1' .500 0 .580 .41 .110 |
|
Ca2' 0 .0452 .5 .50 .094 |
|
Ca4' .5 0 0 .12 .250 |
|
AlT1 -.0075 .0858 .1626 .242 .061 |
|
SiT1 -.0075 .0858 .1626 .758 .061 |
|
AlT2 .3051 .2047 .3879 .242 .061 |
|
SiT2 .3051 .2047 .3879 .758 .061 |
|
AlT3 .7140 .1879 .1053 .242 .061 |
|
SiT3 .7140 .1879 .1053 .758 .061 |
|
O1 .0589 0 .2595 .113 |
|
O2 0 .0779 0 .113 |
|
O3 .7859 .0967 .1094 .113 |
|
O4 .1324 .1501 .2866 .113 |
|
O5 .5 .1739 0 .113 |
|
O6 .5 .1621 .5 .113 |
|
O7 .75 .25 0 .113 |
|
O8 .8081 .2188 .2870 .113 |
|
O9 .25 .25 .5 .113 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 25 C |
|
_database_code_amcsd 0006995 |
|
18.120 20.494 7.531 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .775 .033 |
|
WatA 0 .5 0 .225 .033 |
|
KB 0 .579 .25 .035 .140 |
|
WatB 0 .579 .25 .485 .140 |
|
CaC .444 .215 .25 .118 .150 |
|
MgC .444 .215 .25 .0055 .150 |
|
SrC .444 .215 .25 .0005 .150 |
|
WatD .5 .335 .25 .716 .140 |
|
WatE .627 .481 .25 .952 .110 |
|
CaF .5 .478 .25 .236 .043 |
|
MgF .5 .478 .25 .011 .043 |
|
SrF .5 .478 .25 .001 .043 |
|
WatF .5 .478 .25 .173 .043 |
|
WatG .5 .398 .487 .793 .096 |
|
WatH .111 0 0 .294 .015 |
|
WatJ 0 .060 .064 .610 .098 |
|
SiT1 .303 .072 .037 .8444 .011 |
|
AlT1 .303 .072 .037 .1542 .011 |
|
FeT1 .303 .072 .037 .0006 .011 |
|
SiT2 .305 .311 .046 .8444 .011 |
|
AlT2 .305 .311 .046 .1542 .011 |
|
FeT2 .305 .311 .046 .0006 .011 |
|
SiT3 .088 .388 .25 .8444 .011 |
|
AlT3 .088 .388 .25 .1542 .011 |
|
FeT3 .088 .388 .25 .0006 .011 |
|
SiT4 .085 .229 .25 .8444 .011 |
|
AlT4 .085 .229 .25 .1542 .011 |
|
FeT4 .085 .229 .25 .0006 .011 |
|
O1 .118 .414 .443 .024 |
|
O2 .121 .191 .422 .024 |
|
O3 .231 .117 .990 .024 |
|
O4 .095 .308 .25 .024 |
|
O5 .163 .193 .75 .024 |
|
O6 .179 .422 .75 .024 |
|
O7 .235 .5 .5 .024 |
|
O8 .25 .25 .5 .024 |
|
O9 0 .405 .25 .024 |
|
O10 0 .203 .25 .024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 200 C |
|
_database_code_amcsd 0006996 |
|
18.074 20.446 7.531 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
WatA 0 .5 0 .75 .113 |
|
WatB 0 .569 .154 .449 .136 |
|
CaC' .410 .116 .25 .023 .08 |
|
MgC' .410 .116 .25 .001 .08 |
|
SrC' .410 .116 .25 .0001 .08 |
|
WatC' .410 .116 .25 .096 .08 |
|
CaD' .5 .254 .377 .031 .14 |
|
MgD' .5 .254 .377 .0014 .14 |
|
SrD' .5 .254 .377 .0001 .14 |
|
WatD' .5 .254 .377 .133 .14 |
|
WatE .600 .502 .25 .519 .116 |
|
CaF .5 .407 .25 .3315 .130 |
|
MgF .5 .407 .25 .0031 .130 |
|
SrF .5 .407 .25 .0004 .130 |
|
WatF .5 .407 .25 .141 .130 |
|
WatG .5 .351 .419 .061 .100 |
|
WatG' .5 .351 .419 .061 .100 |
|
WatH .090 0 0 .178 .102 |
|
WatJ 0 .103 .003 .501 .101 |
|
SiT1 .306 .075 .034 .8444 .048 |
|
AlT1 .306 .075 .034 .1542 .048 |
|
FeT1 .306 .075 .034 .0006 .048 |
|
SiT2 .306 .308 .041 .8444 .048 |
|
AlT2 .306 .308 .041 .1542 .048 |
|
FeT2 .306 .308 .041 .0006 .048 |
|
SiT3 .092 .385 .25 .8444 .048 |
|
AlT3 .092 .385 .25 .1542 .048 |
|
FeT3 .092 .385 .25 .0006 .048 |
|
SiT4 .086 .226 .25 .8444 .048 |
|
AlT4 .086 .226 .25 .1542 .048 |
|
FeT4 .086 .226 .25 .0006 .048 |
|
O1 .122 .414 .443 .062 |
|
O2 .124 .187 .416 .062 |
|
O3 .237 .126 .986 .062 |
|
O4 .090 .308 .25 .062 |
|
O5 .158 .201 .75 .062 |
|
O6 .185 .423 .75 .062 |
|
O7 .234 .5 .5 .062 |
|
O8 .25 .25 .5 .062 |
|
O9 0 .400 .25 .062 |
|
O10 0 .203 .25 .062 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 450 C |
|
_database_code_amcsd 0006997 |
|
18.024 20.386 7.503 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
WatA 0 .5 0 .72 .107 |
|
WatB 0 .559 .127 .260 .125 |
|
WatC' .441 .125 .25 .131 .151 |
|
WatD' .5 .251 .372 .110 .139 |
|
WatE .586 .523 .25 .146 .166 |
|
WatG .5 .313 .434 .150 .130 |
|
WatG' .5 .313 .434 .150 .130 |
|
WatJ 0 .075 -.024 .314 .182 |
|
SiT1 .299 .073 .035 .8444 .050 |
|
AlT1 .299 .073 .035 .1542 .050 |
|
FeT1 .299 .073 .035 .0006 .050 |
|
SiT2 .308 .306 .038 .8444 .050 |
|
AlT2 .308 .306 .038 .1542 .050 |
|
FeT2 .308 .306 .038 .0006 .050 |
|
SiT3 .088 .387 .25 .8444 .050 |
|
AlT3 .088 .387 .25 .1542 .050 |
|
FeT3 .088 .387 .25 .0006 .050 |
|
SiT4 .087 .227 .25 .8444 .050 |
|
AlT4 .087 .227 .25 .1542 .050 |
|
FeT4 .087 .227 .25 .0006 .050 |
|
O1 .124 .414 .436 .068 |
|
O2 .118 .191 .428 .068 |
|
O3 .236 .125 .980 .068 |
|
O4 .086 .306 .25 .068 |
|
O5 .159 .191 .75 .068 |
|
O6 .177 .417 .75 .068 |
|
O7 .233 .5 .5 .068 |
|
O8 .25 .25 .5 .068 |
|
O9 0 .409 .25 .068 |
|
O10 0 .205 .25 .068 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mordenite |
|
Martucci A, Sacerdoti M, Cruciani G, Dalconi C |
| |
European Journal of Mineralogy 15 (2003) 485-493 |
|
In situ time resolved synchrotron powder diffraction study of mordenite |
|
Sample: T = 830 C |
|
_database_code_amcsd 0006998 |
|
18.029 20.308 7.493 90 90 90 Cmcm |
|
atom x y z occ Uiso |
|
NaA 0 .5 0 .547 .123 |
|
WatA 0 .5 0 .88 .123 |
|
WatB 0 .559 .125 .104 .090 |
|
WatC' .410 .179 .25 .107 .107 |
|
WatD' .5 .288 .350 .133 .142 |
|
SiT1 .303 .073 .038 .8444 .058 |
|
AlT1 .303 .073 .038 .1542 .058 |
|
FeT1 .303 .073 .038 .0006 .058 |
|
SiT2 .308 .309 .039 .8444 .058 |
|
AlT2 .308 .309 .039 .1542 .058 |
|
FeT2 .308 .309 .039 .0006 .058 |
|
SiT3 .089 .387 .25 .8444 .058 |
|
AlT3 .089 .387 .25 .1542 .058 |
|
FeT3 .089 .387 .25 .0006 .058 |
|
SiT4 .084 .227 .25 .8444 .058 |
|
AlT4 .084 .227 .25 .1542 .058 |
|
FeT4 .084 .227 .25 .0006 .058 |
|
O1 .119 .413 .442 .079 |
|
O2 .120 .197 .429 .079 |
|
O3 .234 .121 .993 .079 |
|
O4 .085 .306 .25 .079 |
|
O5 .158 .197 .75 .079 |
|
O6 .167 .421 .75 .079 |
|
O7 .230 .5 .5 .079 |
|
O8 .25 .25 .5 .079 |
|
O9 0 .411 .25 .079 |
|
O10 0 .194 .25 .079 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Thaumasite |
|
Martucci A, Cruciani G |
| |
Physics and Chemistry of Minerals 33 (2006) 723-731 |
|
In situ time resolved synchrotron powder diffraction study of thaumasite |
|
Sample: T = 303 K |
|
_database_code_amcsd 0009048 |
|
11.0575 11.0575 10.4163 90 90 120 P6_3 |
|
atom x y z Uiso |
|
Ca .1962 .9895 .2463 .031 |
|
Si 0 0 -.0039 .032 |
|
C 1/3 2/3 .4674 .007 |
|
S 1/3 2/3 .9836 .039 |
|
O5 .2055 .6287 .4633 .036 |
|
O6 .1926 .6244 .0414 .032 |
|
O9 1/3 2/3 .8392 .067 |
|
OH7 .1181 .1219 .0964 .040 |
|
OH8 .1429 .1288 .3879 .017 |
|
Wat1 .3916 .2287 .2397 .058 |
|
Wat2 .2605 .4008 .2535 .060 |
|
Wat3 .0034 .3330 .0591 .037 |
|
Wat4 .0226 .3584 .4118 .038 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Thaumasite |
|
Martucci A, Cruciani G |
| |
Physics and Chemistry of Minerals 33 (2006) 723-731 |
|
In situ time resolved synchrotron powder diffraction study of thaumasite |
|
Sample: T = 413 K |
|
_database_code_amcsd 0009049 |
|
11.0825 11.0825 10.4447 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Ca .1975 .9909 .231 .019 |
|
Si 0 0 -.025 .023 |
|
C 1/3 2/3 .449 .003 |
|
S 1/3 2/3 .977 .042 |
|
O5 .2085 .6272 .456 .042 |
|
O6 .1954 .6296 .031 .024 |
|
O9 1/3 2/3 .832 .026 |
|
OH7 .1211 .1232 .080 .033 |
|
OH8 .1465 .1340 .372 .003 |
|
Wat1 .3927 .2367 .226 .98 .024 |
|
Wat2 .2555 .4080 .242 .96 .076 |
|
Wat3 -.0018 .3297 .044 .96 .002 |
|
Wat4 .0208 .3656 .390 .99 .028 |
|
|
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View JMOL 3-D Structure
|
| |
|
Tschernichite |
|
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
| |
Journal of Physical Chemistry B106 (2002) 10277-10284 |
|
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
|
the natural counterpart of synthetic zeolite beta |
|
Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
|
Sample: large crystal, monoclinic |
|
_database_code_amcsd 0013153 |
|
17.983 17.966 14.625 90 114.31 90 C2/c |
|
atom x y z occ Uiso |
|
Na1 .1438 .3576 .0005 .09 .039 |
|
K1 .1438 .3576 .0005 .023 .039 |
|
Mg1 .1438 .3576 .0005 .023 .039 |
|
Ca1 .1438 .3576 .0005 .44 .039 |
|
Ca2 .305 .521 -.004 .073 .03 |
|
Ca3 .474 .696 .004 .079 .03 |
|
Si1 .1708 .8334 .8880 .68 .014 |
|
Al1 .1708 .8334 .8880 .32 .014 |
|
Si2 .2070 .5437 .1145 .79 .017 |
|
Al2 .2070 .5437 .1145 .21 .017 |
|
Si3 .1924 .4185 .2512 .73 .016 |
|
Al3 .1924 .4185 .2512 .27 .016 |
|
Si4 .3940 .0186 .6136 .68 .018 |
|
Al4 .3940 .0186 .6136 .32 .018 |
|
Si5 .5201 .1450 .6140 .73 .018 |
|
Al5 .5201 .1450 .6140 .27 .018 |
|
Si6 .5 .2743 .75 .78 .014 |
|
Al6 .5 .2743 .75 .22 .014 |
|
Si7 .2971 .2926 .3892 .75 .014 |
|
Al7 .2971 .2926 .3892 .25 .014 |
|
Si8 .4193 .1693 .3862 .74 .016 |
|
Al8 .4193 .1693 .3862 .26 .016 |
|
Si9 .5 .1116 .25 .69 .016 |
|
Al9 .5 .1116 .25 .31 .016 |
|
O1 .2077 .9163 .8753 .032 |
|
O2 .5784 .3306 .8014 .034 |
|
O3 .2246 .7652 .8738 .033 |
|
O4 .6681 .3329 .9996 .027 |
|
O5 .2337 .4827 .2040 .032 |
|
O6 .1451 .6024 .1324 .039 |
|
O7 .1650 .5016 .0076 .026 |
|
O8 .1672 .4554 .3359 .039 |
|
O9 .2655 .3563 .3029 .041 |
|
O10 .1153 .3825 .1592 .037 |
|
O11 .4629 .0805 .6252 .047 |
|
O12 .0637 .5621 .3419 .045 |
|
O13 .5106 .2245 .6639 .041 |
|
O14 .4987 .1623 .4944 .018 |
|
O15 .3748 .2513 .3779 .032 |
|
O16 .4506 .1689 .2959 .030 |
|
Wat1 .156 .224 -.114 .58 .12 |
|
Wat2 .118 .254 -.111 .45 .09 |
|
Wat3 .286 .347 .117 .41 .07 |
|
Wat4 .242 .378 -.108 .62 .11 |
|
Wat5 .396 .427 .126 .17 .18 |
|
Wat6 .478 .641 -.165 .26 .09 |
|
Wat7 .013 .140 .025 .56 .14 |
|
Wat8 .011 .021 -.019 .40 .04 |
|
Wat9 .145 .011 .007 .61 .14 |
|
Wat10 .091 .011 .194 .58 .14 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tschernichite |
|
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
| |
Journal of Physical Chemistry B106 (2002) 10277-10284 |
|
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
|
the natural counterpart of synthetic zeolite beta |
|
Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
|
Sample: small crystal, tetragonal |
|
Note: Mg position adjusted to match reported bond lengths |
|
_database_code_amcsd 0013154 |
|
12.634 12.634 26.608 90 90 90 P4_122 |
|
atom x y z occ Uiso |
|
Na -.291 -.300 .123 .04 .04 |
|
Mg -.291 -.300 .123 .04 .04 |
|
K1 0 -.123 0 .04 .11 |
|
Ca1 0 -.123 0 .32 .11 |
|
K2 0 .449 0 .03 .05 |
|
Ca2 0 .449 0 .25 .05 |
|
K3 -.5 -.318 0 .04 .10 |
|
Ca3 -.5 -.318 0 .32 .10 |
|
Si1 .4579 .2945 .0562 .70 .020 |
|
Al1 .4579 .2945 .0562 .30 .020 |
|
Si2 .4573 .0422 .0541 .90 .018 |
|
Al2 .4573 .0422 .0541 .10 .018 |
|
Si3 .2111 .2935 .0565 .85 .016 |
|
Al3 .2111 .2935 .0565 .15 .016 |
|
Si4 .2113 .0419 .0575 .83 .017 |
|
Al4 .2113 .0419 .0575 .17 .017 |
|
Si5 .8360 .2938 .0566 .99 .019 |
|
Al5 .8360 .2938 .0566 .01 .019 |
|
Si6 .8355 .0411 .0577 .76 .018 |
|
Al6 .8355 .0411 .0577 .24 .018 |
|
Si7 .0271 .3583 .1251 .78 .021 |
|
Al7 .0271 .3583 .1251 .22 .021 |
|
Si8 .0262 -.0262 .125 .71 .016 |
|
Al8 .0262 -.0262 .125 .29 .016 |
|
Si9 .6403 .3597 .125 .93 .019 |
|
Al9 .6403 .3597 .125 .07 .019 |
|
O1 .5 .3395 0 .023 |
|
O2 .4691 .1639 .0608 .035 |
|
O3 .3363 .3310 .0631 .039 |
|
O4 .5267 .3542 .0994 .037 |
|
O5 .5 .080 0 .030 |
|
O6 .3340 .0018 .0626 .037 |
|
O7 .5227 -.0180 .0993 .033 |
|
O8 .2017 .1679 .0661 .047 |
|
O9 .1643 .3224 .0018 .028 |
|
O10 .1468 .3539 .1004 .036 |
|
O11 .1641 .0056 .0024 .039 |
|
O12 .1458 -.0208 .0998 .033 |
|
O13 .8348 .1696 .0639 .050 |
|
O14 .9374 .3480 .0809 .036 |
|
O15 .7298 .3481 .0828 .057 |
|
O16 .7296 -.0163 .0822 .035 |
|
O17 .9412 -.0094 .0789 .050 |
|
Wat1 -.186 -.229 .057 .55 .09 |
|
Wat2 -.167 -.416 .056 .93 .22 |
|
Wat3 0 .546 0 .38 .10 |
|
Wat4 -.359 -.206 .005 .86 .19 |
|
Wat6 -.463 -.323 .090 .67 .18 |
|
Wat7 -.361 -.478 .006 .31 .11 |
|
Wat10 -.155 -.346 -.002 .30 .06 |
|
Wat11 -.334 -.334 -.125 .34 .08 |
|
Wat13 0 -.203 0 .38 .05 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mutinaite |
| |
Vezzalini G, Quartieri S, Galli E, Alberti A, Cruciani G, Kvick A |
| |
Zeolites 19 (1997) 323-325 |
|
Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 |
|
Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
|
Note: reported occupancies do not match reported chemistry |
|
_database_code_amcsd 0015873 |
|
20.201 19.991 13.469 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Si1 .4254 .0571 .6788 .883 .018 |
|
Al1 .4254 .0571 .6788 .117 .018 |
|
Si2 .3177 .0298 .8333 .883 .022 |
|
Al2 .3177 .0298 .8333 .117 .022 |
|
Si3 .2783 .0626 .0495 .883 .023 |
|
Al3 .2783 .0626 .0495 .117 .023 |
|
Si4 .1226 .0629 .0443 .883 .018 |
|
Al4 .1226 .0629 .0443 .117 .018 |
|
Si5 .0757 .0299 .8312 .883 .016 |
|
Al5 .0757 .0299 .8312 .117 .016 |
|
Si6 .1964 .0583 .6936 .883 .021 |
|
Al6 .1964 .0583 .6936 .117 .021 |
|
Si7 .4277 .8292 .6911 .883 .018 |
|
Al7 .4277 .8292 .6911 .117 .018 |
|
Si8 .3177 .8718 .8369 .883 .020 |
|
Al8 .3177 .8718 .8369 .117 .020 |
|
Si9 .2712 .8274 .0452 .883 .019 |
|
Al9 .2712 .8274 .0452 .117 .019 |
|
Si10 .1175 .8269 .0393 .883 .018 |
|
Al10 .1175 .8269 .0393 .117 .018 |
|
Si11 .0739 .8716 .8304 .883 .019 |
|
Al11 .0739 .8716 .8304 .117 .019 |
|
Si12 .1973 .8274 .7041 .883 .020 |
|
Al12 .1973 .8274 .7041 .117 .020 |
|
O1 .3865 .0561 .7848 .043 |
|
O2 .3176 .0617 -.0559 .044 |
|
O3 .2018 .0604 .0292 .054 |
|
O4 .0882 .0621 -.0641 .051 |
|
O5 .1266 .0597 .7506 .046 |
|
O6 .2560 .0572 .7697 .063 |
|
O7 .3850 .8438 .7906 .040 |
|
O8 .3146 .8435 -.0545 .052 |
|
O9 .1941 .8451 .0283 .034 |
|
O10 .0808 .8404 -.0629 .050 |
|
O11 .1273 .8400 .7553 .057 |
|
O12 .2553 .8489 .7716 .059 |
|
O13 .3182 -.0493 .838 .103 |
|
O14 .0837 -.0503 .8367 .057 |
|
O15 .4146 .1297 .6267 .046 |
|
O16 .4011 -.0006 .6084 .048 |
|
O17 .3992 .8669 .5960 .040 |
|
O18 .1986 .1303 .6354 .050 |
|
O19 .1985 -.0008 .6143 .059 |
|
O20 .1999 .8687 .6000 .052 |
|
O21 .0030 .0500 .7937 .035 |
|
O22 .0026 .8521 .7847 .035 |
|
O23 .4272 .75 .666 .048 |
|
O24 .2031 .75 .675 .061 |
|
O25 .2811 .75 .077 .041 |
|
O26 .1082 .75 .070 .031 |
|
Ca .4840 .25 .923 .21 .023 |
|
CaX1 .458 .035 .091 .016 .072 |
|
NaX1 .458 .035 .091 .015 .072 |
|
WatX1 .458 .035 .091 .299 .072 |
|
CaX2 .070 .25 .459 .047 .082 |
|
NaX2 .070 .25 .459 .044 .082 |
|
WatX2 .070 .25 .459 .889 .082 |
|
CaX3 .457 .25 .113 .025 .051 |
|
NaX3 .457 .25 .113 .024 .051 |
|
WatX3 .457 .25 .113 .481 .051 |
|
CaX4 .191 .25 .010 .022 .111 |
|
NaX4 .191 .25 .010 .021 .111 |
|
WatX4 .191 .25 .010 .417 .111 |
|
CaX5 .047 .163 .648 .034 .176 |
|
NaX5 .047 .163 .648 .032 .176 |
|
WatX5 .047 .163 .648 .644 .176 |
|
CaX7 .060 .056 .519 .019 .219 |
|
NaX6 .060 .056 .519 .017 .219 |
|
WatX6 .060 .056 .519 .354 .219 |
|
CaX7 .010 .059 .400 .016 .099 |
|
NaX7 .010 .059 .400 .015 .099 |
|
WatX7 .010 .059 .400 .299 .099 |
|
CaX8 .419 .154 .955 .020 .121 |
|
NaX8 .419 .154 .955 .019 .121 |
|
WatX8 .419 .154 .955 .381 .121 |
|
CaX9 .999 .138 .424 .010 .100 |
|
NaX9 .999 .138 .424 .009 .100 |
|
WatX9 .999 .138 .424 .191 .100 |
|
CaX10 .486 .076 .904 .011 .093 |
|
NaX10 .486 .076 .904 .010 .093 |
|
WatX10 .486 .076 .904 .199 .093 |
|
CaX11 .291 .25 .949 .010 .031 |
|
NaX11 .291 .25 .949 .009 .031 |
|
WatX11 .291 .25 .949 .181 .031 |
|
CaX12 .435 .183 .038 .010 .041 |
|
NaX12 .435 .183 .038 .009 .041 |
|
WatX12 .435 .183 .038 .191 .041 |
|
CaX13 .425 .25 .818 .015 .166 |
|
NaX13 .425 .25 .818 .014 .166 |
|
WatX13 .425 .25 .818 .281 .166 |
|
CaX14 .157 .25 .786 .024 .174 |
|
NaX14 .157 .25 .786 .022 .174 |
|
WatX14 .157 .25 .786 .444 .174 |
|
CaX15 .278 .218 .818 .016 .087 |
|
NaX15 .278 .218 .818 .015 .087 |
|
WatX15 .278 .218 .818 .309 .087 |
|
CaX16 .058 .220 .922 .014 .125 |
|
NaX16 .058 .220 .922 .014 .125 |
|
WatX16 .058 .220 .922 .272 .125 |
|
|
| 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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