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Leucite |
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Mazzi F, Galli E, Gottardi G |
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American Mineralogist 61 (1976) 108-115 |
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The crystal structure of tetragonal leucite |
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_database_code_amcsd 0000496 |
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13.090 13.090 13.750 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .3660 .3645 .1147 .0039 .0046 .0090 -.0006 .0000 -.0015 |
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Al1 .0579 .3964 .1666 .32 .0015 .0010 .0013 -.0001 -.0001 -.0002 |
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Al2 .1676 .6115 .1283 .32 .0012 .0014 .0011 -.0002 -.0001 .0003 |
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Al3 .3924 .6418 .0860 .32 .0013 .0016 .0012 .0001 .0000 -.0002 |
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Si1 .0579 .3964 .1666 .68 .0015 .0010 .0013 -.0001 -.0001 -.0002 |
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Si2 .1676 .6115 .1283 .68 .0012 .0014 .0011 -.0002 -.0001 .0003 |
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Si3 .3924 .6418 .0860 .68 .0013 .0016 .0012 .0001 .0000 -.0002 |
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O1 .1318 .3131 .1100 .0042 .0025 .0033 .0000 .0006 -.0007 |
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O2 .0921 .5107 .1303 .0039 .0024 .0036 -.0012 .0001 .0002 |
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O3 .1453 .6798 .2275 .0033 .0030 .0016 -.0006 .0000 -.0001 |
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O4 .1333 .6841 .0354 .0029 .0033 .0018 .0015 .0005 .0007 |
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O5 .2900 .5772 .1205 .0023 .0025 .0035 .0007 -.0005 .0002 |
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O6 .4826 .6174 .1667 .0027 .0026 .0026 -.0007 .0000 .0005 |
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|   |
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Analcime |
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Mazzi F, Galli E |
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American Mineralogist 63 (1978) 448-460 |
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Is each analcime different? |
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ANA 1 |
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_database_code_amcsd 0000654 |
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13.723 13.723 13.686 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Al1 .1264 .1617 .4118 .47 .76 |
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Si1 .1264 .1617 .4118 .53 .76 |
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Si2 .1631 .4131 .125 .77 |
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Na1 .1246 0 .25 .82 2.80 |
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Na2 0 .25 .125 .23 2.84 |
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O1 .1050 .3705 .2186 2.40 |
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O2 .2218 .1028 .3633 1.86 |
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O3 .3631 .2182 .1051 1.84 |
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Wat .1195 .1305 .125 6.03 |
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|   |
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Analcime |
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Mazzi F, Galli E |
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American Mineralogist 63 (1978) 448-460 |
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Is each analcime different? |
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ANA 2 |
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_database_code_amcsd 0000655 |
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13.727 13.727 13.686 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Al1 .1264 .1618 .4117 .42 1.05 |
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Si1 .1264 .1618 .4117 .58 1.05 |
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Si2 .1632 .4132 .125 .98 |
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Na1 .1242 0 .25 .84 2.76 |
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Na2 0 .25 .125 .17 2.88 |
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O1 .1055 .3712 .2191 2.64 |
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O2 .2211 .1027 .3638 2.18 |
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O3 .3634 .2190 .1056 2.22 |
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Wat .1194 .1306 .125 6.29 |
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|   |
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Analcime |
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Mazzi F, Galli E |
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American Mineralogist 63 (1978) 448-460 |
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Is each analcime different? |
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ANA 3 |
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_database_code_amcsd 0000656 |
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13.729 13.729 13.709 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Al1 .1258 .1624 .4123 .40 .78 |
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Si1 .1258 .1624 .4123 .60 .78 |
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Si2 .1625 .4125 .125 .80 |
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Na1 .1242 0 .25 .79 3.04 |
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Na2 0 .25 .125 .48 2.29 |
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O1 .1050 .3680 .2190 2.14 |
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O2 .2206 .1040 .3642 2.13 |
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O3 .3649 .2188 .1043 2.06 |
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Wat .1233 .1267 .125 6.01 |
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|   |
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Analcime |
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Mazzi F, Galli E |
 |
American Mineralogist 63 (1978) 448-460 |
|
Is each analcime different? |
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ANA 4 |
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_database_code_amcsd 0000657 |
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13.733 13.729 13.712 90 90 90 Ibca |
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atom x y z occ Biso |
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Al11 .1256 .1624 .4122 .44 .87 |
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Si11 .1256 .1624 .4122 .56 .87 |
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Al12 .4124 .1243 .1623 .38 .87 |
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Si12 .4124 .1243 .1623 .62 .87 |
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Si2 .1625 .4123 .1252 .88 |
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Na11 .1247 0 .25 .77 2.87 |
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Na12 .25 .1252 0 .74 2.91 |
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Na2 0 .25 .125 .52 2.55 |
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O11 .1048 .3676 .2189 2.23 |
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O12 .3824 .1452 .4686 2.23 |
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O21 .2207 .1040 .3641 2.18 |
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O22 .1458 .4704 .3851 2.23 |
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O31 .3650 .2189 .1043 2.17 |
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O32 .4691 .3853 .1459 2.14 |
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Wat .1236 .1268 .1252 6.02 |
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|   |
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Analcime |
 |
Mazzi F, Galli E |
 |
American Mineralogist 63 (1978) 448-460 |
|
Is each analcime different? |
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ANA 5 |
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_database_code_amcsd 0000658 |
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13.728 13.728 13.722 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Al1 .1251 .1623 .4122 .35 .88 |
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Si1 .1251 .1623 .4122 .65 .88 |
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Si2 .1624 .4124 .125 .70 .83 |
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Al2 .1624 .4124 .125 .30 .83 |
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Na1 .1248 0 .25 .73 3.14 |
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Na2 0 .25 .125 .58 2.80 |
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O1 .1044 .3665 .2194 2.30 |
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O2 .2196 .1041 .3649 2.34 |
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O3 .3654 .2194 .1043 2.23 |
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Wat .1238 .1262 .125 6.59 |
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|   |
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Analcime |
 |
Mazzi F, Galli E |
 |
American Mineralogist 63 (1978) 448-460 |
|
Is each analcime different? |
|
ANA 6 |
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_database_code_amcsd 0000659 |
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13.721 13.721 13.735 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Si1 .1244 .1624 .4124 .73 .83 |
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Al1 .1244 .1624 .4124 .27 .83 |
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Si2 .1623 .4123 .125 .55 .82 |
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Al2 .1623 .4123 .125 .45 .82 |
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Na1 .1252 0 .25 .61 2.57 |
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Na2 0 .25 .125 .77 2.87 |
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O1 .1038 .3640 .2200 2.32 |
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O2 .2185 .1046 .3666 2.33 |
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O3 .3663 .2202 .1048 2.36 |
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Wat .1256 .1244 .125 6.53 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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|   |
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Analcime |
 |
Mazzi F, Galli E |
 |
American Mineralogist 63 (1978) 448-460 |
|
Is each analcime different? |
|
ANA 7 |
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_database_code_amcsd 0000660 |
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13.727 13.714 13.740 90 90 90 Ibca |
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atom x y z occ Biso |
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Si11 .1240 .1621 .4125 .70 .89 |
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Al11 .1240 .1621 .4125 .30 .89 |
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Si12 .4124 .1254 .1626 .81 .87 |
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Al12 .4124 .1254 .1626 .19 .87 |
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Si2 .1622 .4123 .1254 .50 .87 |
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Al2 .1622 .4123 .1254 .50 .87 |
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Na11 .1257 0 .25 .69 2.92 |
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Na12 .25 .1248 0 .52 2.52 |
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Na2 0 .25 .1246 .80 2.88 |
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O11 .1039 .3632 .2206 2.14 |
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O12 .3861 .1459 .4698 2.14 |
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O21 .2181 .1046 .3658 2.17 |
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O22 .1450 .4682 .3825 2.20 |
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O31 .3676 .2197 .1047 2.27 |
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O32 .4704 .3845 .1459 2.22 |
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Wat .1271 .1239 .1238 6.03 |
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|
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|   |
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Wairakite |
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Takeuchi Y, Mazzi F, Haga N, Galli E |
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American Mineralogist 64 (1979) 993-1001 |
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The crystal structure of wairakite |
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_database_code_amcsd 0000740 |
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13.692 13.643 13.560 90 90.5 90 I2/a |
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atom x y z occ Biso |
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Na11 .1318 .9997 .2561 .042 3.70 |
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Na12a .25 .1203 0 .034 2.20 |
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Na12b .75 .3763 0 .041 3.90 |
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Ca2 .0115 .2474 .1160 .899 1.79 |
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Na2 .0115 .2474 .1160 .059 1.79 |
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Si11a .1122 .1580 .4175 .93 0.48 |
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Al11a .1122 .1580 .4175 .07 0.48 |
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Si11b .8714 .3381 .4056 .95 0.54 |
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Al11b .8714 .3381 .4056 .05 0.54 |
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Si12a .4221 .1310 .1599 .95 0.52 |
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Al12a .4221 .1310 .1599 .05 0.52 |
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Si12b .5971 .3728 .1682 .95 0.61 |
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Al12b .5971 .3728 .1682 .05 0.61 |
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Si2a .1753 .4112 .1370 .16 0.54 |
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Al2a .1753 .4112 .1370 .84 0.54 |
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Si2b .8474 .0856 .1176 .16 0.53 |
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Al2b .8474 .0856 .1176 .84 0.53 |
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O11a .1099 .3484 .2274 1.25 |
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O11b .9095 .1464 .2139 1.20 |
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O12a .3834 .1376 .4660 1.16 |
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O12b .5983 .3501 .4791 1.02 |
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O21a .2029 .1165 .3575 1.54 |
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O21b .7763 .3999 .3796 1.45 |
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O22a .1282 .4626 .3863 1.41 |
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O22b .8355 .0357 .3548 1.34 |
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O31a .3976 .2243 .0891 1.53 |
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O31b .6444 .2780 .1144 1.55 |
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O32a .4868 .3896 .1280 1.65 |
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O32b .5405 .1218 .1639 1.46 |
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Wat1 .1344 .1264 .1348 5.04 |
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Watb .8858 .3703 .1169 4.12 |
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Nekoite |
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Alberti A, Galli E |
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American Mineralogist 65 (1980) 1270-1276 |
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The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate |
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Locality: Caxias do Sul, Rio Grande do Sul, Brazil |
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_database_code_amcsd 0000803 |
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7.588 9.793 7.339 111.77 103.50 86.53 P1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .5366 .1658 .4731 0.0136 0.0010 0.0075 0.0002 0.0013 0.0006 |
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Ca2 .4671 -.1608 .5595 0.0133 0.0012 0.0068 0.0008 0.0024 0.0008 |
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Ca3 .4493 -.1628 .0297 0.0138 0.0002 0.0072 0.0011 0.0016 0.0012 |
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Si1 .1572 .1374 .0791 0.9 |
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Si2 -.1287 -.1229 -.0428 1.7 |
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Si3 -.1380 -.1058 .3978 1.0 |
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Si4 .1602 .1414 .6624 1.2 |
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Si5 .1802 .3783 .4897 1.2 |
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Si6 .0695 .7051 .6358 1.3 |
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O1 -.0218 .0291 -.0046 2.5 |
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O2 .1023 .2796 .2485 2.2 |
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O3 -.0366 -.2616 -.1835 2.1 |
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O4 .3357 .0605 .1573 2.6 |
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O5 -.3354 -.1078 -.1182 2.1 |
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O6 -.0921 -.1487 .1810 2.9 |
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O7 .1717 .1939 -.0926 1.7 |
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O8 -.0323 .0384 .5439 2.6 |
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O9 -.0697 -.2401 .4612 1.5 |
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O10 .1169 .2931 .6219 1.4 |
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O11 -.3558 -.0813 .3768 1.5 |
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O12 .3313 .0589 .5923 2.3 |
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O13 .0751 .5289 .5339 1.6 |
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O14 .3995 .3923 .5464 2.2 |
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O15 .2543 .7873 .7148 3.7 |
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Wat1 .5054 -.4210 -.0770 3.9 |
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Wat2 .5499 -.4132 .4586 4.9 |
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Wat3 .7084 .2084 .8207 8.0 |
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Wat4 .7141 .2183 .2877 7.4 |
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Wat5 .0825 .5093 .0357 6.7 |
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Wat6 .7598 .4588 .1661 5.2 |
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Wat7 .2745 -.2432 .2251 2.2 |
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|
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|
|   |
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Biotite |
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Brigatti M F, Galli E, Poppi L |
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American Mineralogist 76 (1991) 1174-1183 |
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Effect of Ti substitution in biotite-M crystal chemistry |
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Sample 8 from a lamproite rock, Puebla De Mula, Spain |
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_database_code_amcsd 0001380 |
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5.317 9.207 10.232 90 99.98 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .0756 .1668 .2269 .714 .0086 .0032 .0033 .0001 .0011 -.0001 |
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Al .0756 .1668 .2269 .286 .0086 .0032 .0033 .0001 .0011 -.0001 |
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K 0 .5 0 .955 .0275 .0094 .0072 0 .0024 0 |
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Ca 0 .5 0 .030 .0275 .0094 .0072 0 .0024 0 |
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Na 0 .5 0 .015 .0275 .0094 .0072 0 .0024 0 |
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Mg1 0 0 .5 .722 .0073 .0025 .0036 0 .0013 0 |
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Al1 0 0 .5 .075 .0073 .0025 .0036 0 .0013 0 |
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Cr1 0 0 .5 .016 .0073 .0025 .0036 0 .0013 0 |
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Fe1 0 0 .5 .130 .0073 .0025 .0036 0 .0013 0 |
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Mn1 0 0 .5 .007 .0073 .0025 .0036 0 .0013 0 |
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Ti1 0 0 .5 .048 .0073 .0025 .0036 0 .0013 0 |
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Mg2 0 .3347 .5 .722 .0093 .0044 .0043 0 .0013 0 |
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Al2 0 .3347 .5 .075 .0093 .0044 .0043 0 .0013 0 |
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Cr2 0 .3347 .5 .016 .0093 .0044 .0043 0 .0013 0 |
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Fe2 0 .3347 .5 .130 .0093 .0044 .0043 0 .0013 0 |
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Mn2 0 .3347 .5 .007 .0093 .0044 .0043 0 .0013 0 |
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Ti2 0 .3347 .5 .048 .0093 .0044 .0043 0 .0013 0 |
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O1 .0171 0 .1697 .0205 .0052 .0041 0 .0000 0 |
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O2 .3256 .2311 .1692 .0167 .0066 .0041 -.0025 .0019 -.0005 |
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O3 .1313 .1673 .3914 .0118 .0033 .0034 -.0001 .0012 .0001 |
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O4 .1311 .5 .3979 .0090 .0041 .0040 0 .0014 0 |
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|
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|
|   |
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Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 9 from a lamproite rock, Cancarix, Spain |
|
_database_code_amcsd 0001381 |
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5.306 9.190 10.163 90 100.11 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .0753 .1668 .2258 .727 .0090 .0028 .0028 -.0001 .0010 -.0001 |
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Al .0753 .1668 .2258 .273 .0090 .0028 .0028 -.0001 .0010 -.0001 |
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K 0 .5 0 .952 .0257 .0087 .0071 0 .0022 0 |
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Ca 0 .5 0 .006 .0257 .0087 .0071 0 .0022 0 |
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Na 0 .5 0 .024 .0257 .0087 .0071 0 .0022 0 |
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Mg1 0 0 .5 .808 .0108 .0037 .0043 0 .0016 0 |
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Cr1 0 0 .5 .008 .0108 .0037 .0043 0 .0016 0 |
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Fe1 0 0 .5 .094 .0108 .0037 .0043 0 .0016 0 |
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Mn1 0 0 .5 .005 .0108 .0037 .0043 0 .0016 0 |
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Ti1 0 0 .5 .059 .0108 .0037 .0043 0 .0016 0 |
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Mg2 0 .3353 .5 .808 .0089 .0042 .0035 0 .0010 0 |
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Cr2 0 .3353 .5 .008 .0089 .0042 .0035 0 .0010 0 |
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Fe2 0 .3353 .5 .094 .0089 .0042 .0035 0 .0010 0 |
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Mn2 0 .3353 .5 .005 .0089 .0042 .0035 0 .0010 0 |
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Ti2 0 .3353 .5 .059 .0089 .0042 .0035 0 .0010 0 |
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O1 .0220 0 .1682 .0221 .0042 .0038 0 .0013 0 |
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O2 .3222 .2334 .1672 .0157 .0068 .0038 -.0020 .0019 -.0005 |
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O3 .1309 .1672 .3911 .0098 .0039 .0030 .0000 .0007 -.0002 |
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O4 .1317 .5 .4006 .0088 .0033 .0031 0 .0007 0 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 10 from a lamproite rock, Fortuna, Spain |
|
_database_code_amcsd 0001382 |
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5.322 9.228 10.102 90 100.25 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .0743 .1670 .2232 .733 .0067 .0020 .0040 -.0001 .0008 -.0001 |
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Al .0743 .1670 .2232 .267 .0067 .0020 .0040 -.0001 .0008 -.0001 |
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K 0 .5 0 .958 .0235 .0070 .0075 0 .0019 0 |
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Ca 0 .5 0 .004 .0235 .0070 .0075 0 .0019 0 |
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Na 0 .5 0 .016 .0235 .0070 .0075 0 .0019 0 |
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Mg1 0 0 .5 .534 .0081 .0022 .0050 0 .0013 0 |
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Al1 0 0 .5 .031 .0081 .0022 .0050 0 .0013 0 |
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Cr1 0 0 .5 .018 .0081 .0022 .0050 0 .0013 0 |
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Fe1 0 0 .5 .196 .0081 .0022 .0050 0 .0013 0 |
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Mn1 0 0 .5 .010 .0081 .0022 .0050 0 .0013 0 |
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Ti1 0 0 .5 .174 .0081 .0022 .0050 0 .0013 0 |
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Mg2 0 .3353 .5 .534 .0071 .0038 .0044 0 .0013 0 |
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Al2 0 .3353 .5 .031 .0071 .0038 .0044 0 .0013 0 |
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Cr2 0 .3353 .5 .018 .0071 .0038 .0044 0 .0013 0 |
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Fe2 0 .3353 .5 .196 .0071 .0038 .0044 0 .0013 0 |
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Mn2 0 .3353 .5 .010 .0071 .0038 .0044 0 .0013 0 |
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Ti2 0 .3353 .5 .174 .0071 .0038 .0044 0 .0013 0 |
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O1 .0291 0 .1673 .0246 .0034 .0047 0 .0002 0 |
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O2 .3187 .2368 .1663 .0149 .0064 .0039 -.0020 .0005 -.0003 |
|
O3 .1321 .1687 .3907 .0100 .0022 .0042 -.0004 .0009 -.0001 |
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O4 .1308 .5 .4007 .0065 .0030 .0045 0 .0026 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 11 from a lamproite rock, Jummilla, Spain |
|
_database_code_amcsd 0001383 |
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5.315 9.204 10.168 90 100.13 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .0749 .1669 .2255 .717 .0062 .0022 .0026 .0000 .0009 .0000 |
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Al .0749 .1669 .2255 .283 .0062 .0022 .0026 .0000 .0009 .0000 |
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K 0 .5 0 .955 .0222 .0080 .0072 0 .0022 0 |
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Ca 0 .5 0 .013 .0222 .0080 .0072 0 .0022 0 |
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Na 0 .5 0 .030 .0222 .0080 .0072 0 .0022 0 |
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Mg1 0 0 .5 .633 .0080 .0027 .0038 0 .0015 0 |
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Al1 0 0 .5 .050 .0080 .0027 .0038 0 .0015 0 |
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Cr1 0 0 .5 .024 .0080 .0027 .0038 0 .0015 0 |
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Fe1 0 0 .5 .168 .0080 .0027 .0038 0 .0015 0 |
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Mn1 0 0 .5 .009 .0080 .0027 .0038 0 .0015 0 |
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Ti1 0 0 .5 .108 .0080 .0027 .0038 0 .0015 0 |
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Mg2 0 .3364 .5 .633 .0070 .0042 .0034 0 .0010 0 |
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Al2 0 .3364 .5 .050 .0070 .0042 .0034 0 .0010 0 |
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Cr2 0 .3364 .5 .024 .0070 .0042 .0034 0 .0010 0 |
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Fe2 0 .3364 .5 .168 .0070 .0042 .0034 0 .0010 0 |
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Mn2 0 .3364 .5 .009 .0070 .0042 .0034 0 .0010 0 |
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Ti2 0 .3364 .5 .108 .0070 .0042 .0034 0 .0010 0 |
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O1 .0212 0 .1683 .0188 .0035 .0035 0 .0004 0 |
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O2 .3230 .2327 .1674 .0126 .0062 .0033 -.0023 .0017 -.0006 |
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O3 .1310 .1676 .3911 .0078 .0029 .0028 .0001 .0010 -.0001 |
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O4 .1312 .5 .3998 .0075 .0028 .0031 0 .0013 0 |
|
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|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 12 from a lamproite rock, Jummilla, Spain |
|
_database_code_amcsd 0001384 |
|
5.314 9.190 10.160 90 100.18 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .0750 .1668 .2258 .726 .0071 .0038 .0034 .0001 .0011 .0001 |
|
Al .0750 .1668 .2258 .274 .0071 .0038 .0034 .0001 .0011 .0001 |
|
K 0 .5 0 .947 .0239 .0093 .0080 0 .0027 0 |
|
Ca 0 .5 0 .002 .0239 .0093 .0080 0 .0027 0 |
|
Na 0 .5 0 .051 .0239 .0093 .0080 0 .0027 0 |
|
Mg1 0 0 .5 .696 .0085 .0046 .0045 0 .0017 0 |
|
Al1 0 0 .5 .013 .0085 .0046 .0045 0 .0017 0 |
|
Cr1 0 0 .5 .018 .0085 .0046 .0045 0 .0017 0 |
|
Fe1 0 0 .5 .166 .0085 .0046 .0045 0 .0017 0 |
|
Mn1 0 0 .5 .006 .0085 .0046 .0045 0 .0017 0 |
|
Ti1 0 0 .5 .089 .0085 .0046 .0045 0 .0017 0 |
|
Mg2 0 .3357 .5 .696 .0079 .0054 .0040 0 .0015 0 |
|
Al2 0 .3357 .5 .013 .0079 .0054 .0040 0 .0015 0 |
|
Cr2 0 .3357 .5 .018 .0079 .0054 .0040 0 .0015 0 |
|
Fe2 0 .3357 .5 .166 .0079 .0054 .0040 0 .0015 0 |
|
Mn2 0 .3357 .5 .006 .0079 .0054 .0040 0 .0015 0 |
|
Ti2 0 .3357 .5 .089 .0079 .0054 .0040 0 .0015 0 |
|
O1 .0214 0 .1686 .0202 .0053 .0043 0 .0014 0 |
|
O2 .3225 .2330 .1677 .0138 .0072 .0044 -.0025 .0021 -.0004 |
|
O3 .1307 .1674 .3910 .0081 .0048 .0036 .0001 .0012 -.0001 |
|
O4 .1311 .5 .3995 .0070 .0049 .0039 0 .0014 0 |
|
|
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|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 15 from a alkaline gabbro-peralkaline syenite rock, Mt St Hilaire, Quebec |
|
_database_code_amcsd 0001385 |
|
5.329 9.235 10.190 90 100.20 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .0742 .1671 .2250 .684 .0076 .0019 .0024 .0000 .0008 -.0001 |
|
Al .0742 .1671 .2250 .316 .0076 .0019 .0024 .0000 .0008 -.0001 |
|
K 0 .5 0 .915 .0236 .0073 .0078 0 .0022 0 |
|
Ca 0 .5 0 .007 .0236 .0073 .0078 0 .0022 0 |
|
Na 0 .5 0 .015 .0236 .0073 .0078 0 .0022 0 |
|
Mg1 0 0 .5 .492 .0088 .0019 .0029 0 .0015 0 |
|
Al1 0 0 .5 .002 .0088 .0019 .0029 0 .0015 0 |
|
Cr1 0 0 .5 .002 .0088 .0019 .0029 0 .0015 0 |
|
Fe1 0 0 .5 .314 .0088 .0019 .0029 0 .0015 0 |
|
Mn1 0 0 .5 .008 .0088 .0019 .0029 0 .0015 0 |
|
Ti1 0 0 .5 .130 .0088 .0019 .0029 0 .0015 0 |
|
Mg2 0 .3368 .5 .492 .0064 .0028 .0027 0 .0006 0 |
|
Al2 0 .3368 .5 .002 .0064 .0028 .0027 0 .0006 0 |
|
Cr2 0 .3368 .5 .002 .0064 .0028 .0027 0 .0006 0 |
|
Fe2 0 .3368 .5 .314 .0064 .0028 .0027 0 .0006 0 |
|
Mn2 0 .3368 .5 .008 .0064 .0028 .0027 0 .0006 0 |
|
Ti2 0 .3368 .5 .130 .0064 .0028 .0027 0 .0006 0 |
|
O1 .0174 0 .1691 .0194 .0033 .0043 0 .0007 0 |
|
O2 .3243 .2311 .1678 .0145 .0056 .0033 -.0010 .0018 -.0007 |
|
O3 .1307 .1683 .3910 .0090 .0029 .0024 -.0006 .0004 .0004 |
|
O4 .1293 .5 .3964 .0108 .0034 .0028 0 .0010 0 |
|
|
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|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 16 from a monzonite-alkali syenite, Sande caldron, Norway |
|
_database_code_amcsd 0001386 |
|
5.333 9.256 10.186 90 100.17 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .0747 .1669 .2254 .708 .0078 .0026 .0053 .0003 .0010 .0000 |
|
Al .0747 .1669 .2254 .292 .0078 .0026 .0053 .0003 .0010 .0000 |
|
K 0 .5 0 .968 .0267 .0092 .0124 0 .0025 0 |
|
Ca 0 .5 0 .009 .0267 .0092 .0124 0 .0025 0 |
|
Na 0 .5 0 .020 .0267 .0092 .0124 0 .0025 0 |
|
Mg1 0 0 .5 .467 .0112 .0030 .0049 0 .0010 0 |
|
Al1 0 0 .5 .027 .0112 .0030 .0049 0 .0010 0 |
|
Cr1 0 0 .5 .002 .0112 .0030 .0049 0 .0010 0 |
|
Fe1 0 0 .5 .413 .0112 .0030 .0049 0 .0010 0 |
|
Mn1 0 0 .5 .008 .0112 .0030 .0049 0 .0010 0 |
|
Ti1 0 0 .5 .077 .0112 .0030 .0049 0 .0010 0 |
|
Mg2 0 .3353 .5 .467 .0097 .0046 .0050 0 .0008 0 |
|
Al2 0 .3353 .5 .027 .0097 .0046 .0050 0 .0008 0 |
|
Cr2 0 .3353 .5 .002 .0097 .0046 .0050 0 .0008 0 |
|
Fe2 0 .3353 .5 .413 .0097 .0046 .0050 0 .0008 0 |
|
Mn2 0 .3353 .5 .008 .0097 .0046 .0050 0 .0008 0 |
|
Ti2 0 .3353 .5 .077 .0097 .0046 .0050 0 .0008 0 |
|
O1 .0297 0 .1678 .0283 .0036 .0074 0 .0010 0 |
|
O2 .3201 .2368 .1678 .0202 .0066 .0065 -.0027 .0008 -.0002 |
|
O3 .1310 .1679 .3905 .0112 .0032 .0050 .0000 .0013 -.0001 |
|
O4 .1291 .5 .3952 .0155 .0043 .0048 0 -.0002 0 |
|
|
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|
|   |
|
Biotite |
 |
Brigatti M F, Galli E, Poppi L |
 |
American Mineralogist 76 (1991) 1174-1183 |
|
Effect of Ti substitution in biotite-M crystal chemistry |
|
Sample 17 from a quartz diorite, Capo Vaticano, Italy |
|
_database_code_amcsd 0001387 |
|
5.323 9.215 10.210 90 100.14 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .0759 .1664 .2268 .691 .0056 .0033 .0035 -.0002 .0020 .0001 |
|
Al .0759 .1664 .2268 .309 .0056 .0033 .0035 -.0002 .0020 .0001 |
|
K 0 .5 0 .914 .0212 .0095 .0106 0 .0050 0 |
|
Ca 0 .5 0 .001 .0212 .0095 .0106 0 .0050 0 |
|
Na 0 .5 0 .022 .0212 .0095 .0106 0 .0050 0 |
|
Mg1 0 0 .5 .415 .0073 .0023 .0033 0 .0010 0 |
|
Al1 0 0 .5 .064 .0073 .0023 .0033 0 .0010 0 |
|
Cr1 0 0 .5 .002 .0073 .0023 .0033 0 .0010 0 |
|
Fe1 0 0 .5 .432 .0073 .0023 .0033 0 .0010 0 |
|
Mn1 0 0 .5 .003 .0073 .0023 .0033 0 .0010 0 |
|
Ti1 0 0 .5 .066 .0073 .0023 .0033 0 .0010 0 |
|
Mg2 0 .3327 .5 .415 .0075 .0022 .0031 0 .0020 0 |
|
Al2 0 .3327 .5 .064 .0075 .0022 .0031 0 .0020 0 |
|
Cr2 0 .3327 .5 .002 .0075 .0022 .0031 0 .0020 0 |
|
Fe2 0 .3327 .5 .432 .0075 .0022 .0031 0 .0020 0 |
|
Mn2 0 .3327 .5 .003 .0075 .0022 .0031 0 .0020 0 |
|
Ti2 0 .3327 .5 .066 .0075 .0022 .0031 0 .0020 0 |
|
O1 .0145 0 .1712 .0188 .0049 .0098 0 .0035 0 |
|
O2 .3249 .2298 .1697 .0132 .0064 .0093 -.0008 .0036 .0001 |
|
O3 .1302 .1671 .3904 .0066 .0033 .0023 -.0014 .0014 .0008 |
|
O4 .1293 .5 .3954 .0162 .0045 .0004 0 .0000 0 |
|
|
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|
|   |
|
Terranovaite |
| |
Galli E, Quartieri S, Vezzalini G, Alberti A, Franzini M |
 |
American Mineralogist 82 (1997) 423-429 |
|
Terranovaite from Antarctica: A new 'pentasil' zeolite |
|
_database_code_amcsd 0001886 |
|
9.747 23.880 20.068 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
Si1 0 .4524 .3281 .85 1.01 |
|
Al1 0 .4524 .3281 .15 1.01 |
|
Si2 0 .5440 .4396 .85 1.18 |
|
Al2 0 .5440 .4396 .15 1.18 |
|
Si3 .7919 .3604 .3728 .85 1.28 |
|
Al3 .7919 .3604 .3728 .15 1.28 |
|
Si4 .7917 .6392 .4694 .85 1.13 |
|
Al4 .7917 .6392 .4694 .15 1.13 |
|
Si5 0 .1806 .4414 .85 1.07 |
|
Al5 0 .1806 .4414 .15 1.07 |
|
Si6 0 .7321 .4365 .85 1.01 |
|
Al6 0 .7321 .4365 .15 1.01 |
|
Si7 0 .2697 .3272 .85 1.15 |
|
Al7 0 .2697 .3272 .15 1.15 |
|
Si8 0 .8252 .3289 .85 1.02 |
|
Al8 0 .8252 .3289 .15 1.02 |
|
O1 0 .4692 .25 3.41 |
|
O2 0 .5113 .3679 3.97 |
|
O3 .1367 .4160 .3453 3.74 |
|
O4 0 .5 .5 5.66 |
|
O5 .8630 .5836 .4415 3.97 |
|
O6 .1958 .3683 .4512 5.04 |
|
O7 .6325 .3623 .3488 3.16 |
|
O8 .8661 .3057 .3415 3.47 |
|
O9 .3663 .6374 .4453 2.34 |
|
O10 .8655 .6932 .4377 3.03 |
|
O11 0 .2124 .3685 2.93 |
|
O12 0 .7751 .4970 3.09 |
|
O13 0 .7648 .3656 2.39 |
|
O14 0 .2515 .25 3.28 |
|
O15 0 .8123 .25 4.01 |
|
Na1 0 .0458 .4442 .05 .7 |
|
Ca1 0 .0458 .4442 .05 .7 |
|
Wat1 0 .0458 .4442 .37 .7 |
|
Na2 0 .0403 .25 .08 1.6 |
|
Ca2 0 .0403 .25 .08 1.6 |
|
Wat2 0 .0403 .25 .56 1.6 |
|
Na3 .3578 .4603 .25 .11 9.2 |
|
Ca3 .3578 .4603 .25 .11 9.2 |
|
Wat3 .3578 .4603 .25 .76 9.2 |
|
Na4 .1457 .0399 .3495 .08 9.5 |
|
Ca4 .1457 .0399 .3495 .08 9.5 |
|
Wat4 .1457 .0399 .3495 .58 9.5 |
|
Na5 0 .6982 .25 .06 9.5 |
|
Ca5 0 .6982 .25 .06 9.5 |
|
Wat5 0 .6982 .25 .44 9.5 |
|
Na6 0 .9509 .4405 .06 9.5 |
|
Ca6 0 .9509 .4405 .06 9.5 |
|
Wat6 0 .9509 .4405 .44 9.5 |
|
Na7 .9089 .1288 .25 .06 9.5 |
|
Ca7 .9089 .1288 .25 .06 9.5 |
|
Wat7 .9089 .1288 .25 .44 9.5 |
|
Na8 .3519 .4804 .4598 .04 8.2 |
|
Ca8 .3519 .4804 .4598 .04 8.2 |
|
Wat8 .3519 .4804 .4598 .29 8.2 |
|
Na9 0 .9651 .3547 .03 4.1 |
|
Ca9 0 .9651 .3547 .03 4.1 |
|
Wat9 0 .9651 .3547 .20 4.1 |
|
Na10 0 .5972 .25 .06 11.8 |
|
Ca10 0 .5972 .25 .06 11.8 |
|
Wat10 0 .5972 .25 .44 11.8 |
|
Na11 .3056 .1983 .25 .05 9.5 |
|
Ca11 .3056 .1983 .25 .05 9.5 |
|
Wat11 .3056 .1983 .25 .37 9.5 |
|
Na12 .1901 .0815 .1907 .02 8.7 |
|
Ca12 .1901 .0815 .1907 .02 8.7 |
|
Wat12 .1901 .0815 .1907 .16 8.7 |
|
|
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|
|   |
|
Lizardite-2H2 |
| |
Brigatti M F, Galli E, Medici L, Poppi L |
 |
American Mineralogist 82 (1997) 931-935 |
|
Crystal structure refinement of aluminian lizardite-2H2 |
|
_database_code_amcsd 0001942 |
|
5.334 5.334 14.370 90 90 120 P6_3 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si1 0 0 .1303 .71 .01160 .01160 .00194 .00586 0 0 |
|
Al1 0 0 .1303 .29 .01160 .01160 .00194 .00586 0 0 |
|
Si2 2/3 1/3 .1285 .71 .00890 .00890 .00133 .00445 0 0 |
|
Al2 2/3 1/3 .1285 .29 .00890 .00890 .00133 .00445 0 0 |
|
Mg .6695 .0020 .3215 .78 .01101 .01347 .00190 .00902 -.00004 -.00072 |
|
Fe .6695 .0020 .3215 .04 .01101 .01347 .00190 .00902 -.00004 -.00072 |
|
Al .6695 .0020 .3215 .18 .01101 .01347 .00190 .00902 -.00004 -.00072 |
|
H4 .3 .04 .459 3.2 |
|
H5 1/3 2/3 .179 3.8 |
|
O1 0 0 .2412 .01523 .01523 .00472 .00773 0 0 |
|
O2 2/3 1/3 .2471 .02695 .02695 .00315 .01406 0 0 |
|
O3 .7829 .1179 .0899 .02695 .03280 .00315 .01757 -.00113 -.00301 |
|
O4 .3356 .0038 .3916 .01757 .02460 .00242 .00586 .00034 -.00339 |
|
O5 1/3 2/3 .2469 .01406 .01406 .00097 .00703 0 0 |
|
|
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|
|   |
|
Gonnardite |
 |
Artioli G, Galli E |
 |
American Mineralogist 84 (1999) 1445-1450 |
|
Gonnardite: Re-examination of holotype material, and discreditation of |
|
tetranatrolite |
|
_database_code_amcsd 0002315 |
|
13.2670 13.2670 6.6023 90 90 90 I-42d |
|
atom x y z occ Uiso |
|
Si1 0 0 0 .57 .025 |
|
Al1 0 0 0 .43 .025 |
|
Si2 .1319 .0512 .3845 .57 .029 |
|
Al2 .1319 .0512 .3845 .43 .029 |
|
Ca .3005 .25 .125 .23 .013 |
|
Na .3005 .25 .125 .58 .013 |
|
O1 .25 .0949 .375 .031 |
|
O2 .0903 .4478 .101 .029 |
|
O3 .4373 .3721 .026 .027 |
|
OW1 .25 .3651 .375 .046 |
|
OW2 .139 .235 .051 .35 .037 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) 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: 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) Download CIF data (View Text File) 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) Download CIF data (View Text File) 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-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 |
|
|
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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: 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) Download CIF data (View Text File) 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-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) Download CIF data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mazzite-Na |
| |
Arletti R, Galli E, Vezzalini G, Wise W S |
 |
American Mineralogist 90 (2005) 1186-1191 |
|
Mazzite-Na, a new zeolite from Boron, California: |
|
Its description and crystal structure |
|
Sample: US Borax Mine, Boron, Ca |
|
_database_code_amcsd 0003819 |
|
18.2343 18.2343 7.6371 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Na1 1/3 2/3 .25 .24 .06 |
|
Na2 .5 0 0 .77 .119 |
|
Na3 .032 .144 .040 .26 .19 |
|
Si1 .15791 .49004 1/4 .0162 |
|
Si2 .35457 .09295 .0457 .0162 |
|
O1 .2580 .5161 1/4 .032 |
|
O2 .4246 .8493 1/4 .037 |
|
O3 .3829 .0977 1/4 .0258 |
|
O4 .4357 .1092 -.0721 .0308 |
|
O5 .1625 .3250 -.0046 .0284 |
|
O6 .2727 0 0 .0275 |
|
Wat1 .4658 .9316 .719 .44 .076 |
|
Wat2 1/3 2/3 .963 .63 .18 |
|
Wat2A 1/3 2/3 .056 .19 .021 |
|
Wat3 .243 .680 3/4 .24 .13 |
|
Wat5 .130 -.004 3/4 .46 .25 |
|
Wat6 .089 .177 1/4 .36 .15 |
|
Wat7 .078 -.078 3/4 .12 .07 |
|
Wat8 .437 .874 .704 .08 .03 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Direnzoite |
| |
Galli E, Gualtieri A F |
| |
American Mineralogist 93 (2008) 95-102 |
|
Direnzoite, [NaK6MgCa2(Al13Si47O120)*36H2O], a new zeolite from Massif Central |
|
(France): Description and crystal structure |
|
Locality: Massif Central, France |
|
Note: changed O11(y) sign |
|
_database_code_amcsd 0004494 |
|
7.57887 18.20098 26.15387 90 90 90 *Pmmn |
|
-.25 -.25 0 |
|
atom x y z occ Uiso |
|
Na .25 .25 .27888 .47 .026 |
|
K1 0 0 0 .62 .109 |
|
K2 .25 .75 .44103 .58 .093 |
|
K3 .25 .10243 .72780 .59 .116 |
|
Mg .25 .25 .09106 .72 .035 |
|
Ca .10841 .65747 .31287 .28 .100 |
|
AlT1 -.25 .15917 -.00519 .3493 .017 |
|
SiT1 -.25 .15917 -.00519 .6507 .017 |
|
AlT2 -.25 .07632 .10297 .3287 .017 |
|
SiT2 -.25 .07632 .10297 .6713 .017 |
|
AlT3 -.25 .15851 .21054 .3219 .017 |
|
SiT3 -.25 .15851 .21054 .6781 .017 |
|
AlT4 .04716 .16887 -.09235 .4863 .017 |
|
SiT4 .04716 .16887 -.09235 .5137 .017 |
|
AlT5 .05351 -.02727 .14743 .3493 .017 |
|
SiT5 .05351 -.02727 .14743 .6507 .017 |
|
AlT6 .04478 .05500 .24977 .3972 .017 |
|
SiT6 .04478 .05500 .24977 .6028 .017 |
|
AlT7 .25 .16917 .40021 .0479 .017 |
|
SiT7 .25 .16917 .40021 .9521 .017 |
|
AlT8 .25 .16590 .52188 .0959 .017 |
|
SiT8 .25 .16590 .52188 .9041 .017 |
|
AlT9 -.04543 .05520 .36417 .1027 .017 |
|
SiT9 -.04543 .05520 .36417 .8973 .017 |
|
AlT10 .04706 -.05395 .45362 .0068 .017 |
|
SiT10 .04706 -.05395 .45362 .9932 .017 |
|
O1 -.25 .25 .01306 .014 |
|
O2 -.25 .10969 .04540 .014 |
|
O3 -.25 .14311 .14804 .014 |
|
O4 -.25 .25 .21987 .014 |
|
O5 -.08536 .14050 -.04385 .014 |
|
O6 -.08090 .02192 .11231 .014 |
|
O7 -.06629 .13244 .23690 .014 |
|
O8 -.01703 .25 -.11638 .014 |
|
O9 -.02128 -.00640 .20486 .014 |
|
O10 .25 .15049 -.07257 .014 |
|
O11 .25 .00061 .12986 .014 |
|
O12 .25 .07925 .24525 .014 |
|
O13 .00266 .11603 -.14215 .014 |
|
O14 -.01502 .02533 .30641 .014 |
|
O15 .25 .25 .37502 .014 |
|
O16 .25 .25 .54114 .014 |
|
O17 .25 .15537 .46062 .014 |
|
O18 .09305 .12202 .37500 .014 |
|
O19 .07556 .12495 .54309 .014 |
|
O20 .01799 -.01390 .39874 .014 |
|
O21 0 0 .5 .014 |
|
O22 -.25 .05489 .37670 .014 |
|
O23 -.25 .07432 .54272 .014 |
|
Wat1 -.01826 .25 .10661 .86 .023 |
|
Wat2 .25 .11005 .02455 .99 .096 |
|
Wat3 .49895 .25 .30815 .023 |
|
Wat4 -.04389 .75 .36633 .113 |
|
Wat5 .25 .14169 .12275 .97 .050 |
|
Wat6 .75 .25 .45418 .52 .117 |
|
Wat7 .25 .25 .18582 .75 .038 |
|
Wat8 .25 .25 .00702 .136 |
|
Wat9 .50220 .75 .22445 .102 |
|
Wat10 .75 .65040 .33093 .40 .157 |
|
Wat11 .75 .25 .35258 .088 |
|
Wat12 .75 -.18101 .24579 .40 .149 |
|
Wat13 .25 .75 .2856 .050 |
|
Wat14 .25 .6556 .2231 .43 .025 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Gottardiite |
| |
Alberti A, Vezzalini G, Galli E, Quartieri S |
| |
European Journal of Mineralogy 8 (1996) 69-75 |
|
The crystal structure of gottardiite, a new natural zeolite |
|
Note: occupancies altered to match chemical formula |
|
_database_code_amcsd 0006612 |
|
13.698 25.213 22.660 90 90 90 Cmca |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 0 .0804 .1973 .861 1.18 .013 .013 .019 0 0 -.002 |
|
AlT1 0 .0804 .1973 .138 1.18 .013 .013 .019 0 0 -.002 |
|
FeT1 0 .0804 .1973 .001 1.18 .013 .013 .019 0 0 -.002 |
|
SiT2 0 .1784 .2828 .861 1.47 .014 .021 .021 0 0 -.004 |
|
AlT2 0 .1784 .2828 .138 1.47 .014 .021 .021 0 0 -.004 |
|
FeT2 0 .1784 .2828 .001 1.47 .014 .021 .021 0 0 -.004 |
|
SiT3 0 .2884 .2204 .861 1.39 .021 .015 .017 0 0 -.003 |
|
AlT3 0 .2884 .2204 .138 1.39 .021 .015 .017 0 0 -.003 |
|
FeT3 0 .2884 .2204 .001 1.39 .021 .015 .017 0 0 -.003 |
|
SiT4 0 .3841 .3023 .861 1.34 .012 .022 .017 0 0 -.007 |
|
AlT4 0 .3841 .3023 .138 1.34 .012 .022 .017 0 0 -.007 |
|
FeT4 0 .3841 .3023 .001 1.34 .012 .022 .017 0 0 -.007 |
|
SiT5 0 .4818 .2235 .861 1.68 .030 .019 .015 0 0 .004 |
|
AlT5 0 .4818 .2235 .138 1.68 .030 .019 .015 0 0 .004 |
|
FeT5 0 .4818 .2235 .001 1.68 .030 .019 .015 0 0 .004 |
|
SiT6 .2102 .0023 .3160 .861 1.95 .020 .030 .024 .004 -.005 .001 |
|
AlT6 .2102 .0023 .3160 .138 1.95 .020 .030 .024 .004 -.005 .001 |
|
FeT6 .2102 .0023 .3160 .001 1.95 .020 .030 .024 .004 -.005 .001 |
|
SiT7 .1934 .0978 .1253 .861 1.34 .014 .019 .018 -.005 .006 -.003 |
|
AlT7 .1934 .0978 .1253 .138 1.34 .014 .019 .018 -.005 .006 -.003 |
|
FeT7 .1934 .0978 .1253 .001 1.34 .014 .019 .018 -.005 .006 -.003 |
|
SiT8 .2122 .1948 .3174 .861 1.11 .011 .014 .017 .001 -.004 .001 |
|
AlT8 .2122 .1948 .3174 .138 1.11 .011 .014 .017 .001 -.004 .001 |
|
FeT8 .2122 .1948 .3174 .001 1.11 .011 .014 .017 .001 -.004 .001 |
|
SiT9 .2143 .3111 .1846 .861 1.32 .018 .012 .020 -.005 .001 .001 |
|
AlT9 .2143 .3111 .1846 .138 1.32 .018 .012 .020 -.005 .001 .001 |
|
FeT9 .2143 .3111 .1846 .001 1.32 .018 .012 .020 -.005 .001 .001 |
|
SiT10 .1873 .4049 .3752 .861 1.18 .015 .015 .015 .002 .004 -.004 |
|
AlT10 .1873 .4049 .3752 .138 1.18 .015 .015 .015 .002 .004 -.004 |
|
FeT10 .1873 .4049 .3752 .001 1.18 .015 .015 .015 .002 .004 -.004 |
|
SiT11 .1151 .0634 .0009 .861 1.53 .025 .019 .014 -.007 .005 -.004 |
|
AlT11 .1151 .0634 .0009 .138 1.53 .025 .019 .014 -.007 .005 -.004 |
|
FeT11 .1151 .0634 .0009 .001 1.53 .025 .019 .014 -.007 .005 -.004 |
|
O1 0 .0208 .2214 3.92 .088 .015 .046 0 0 -.004 |
|
O2 .0969 .0897 .1594 .84 .025 .084 .113 .002 .049 .009 |
|
O3 0 .1213 .2499 .76 .075 .041 .027 0 0 -.015 |
|
O4 .0955 .1833 .3238 .63 .020 .059 .021 -.001 .001 -.012 |
|
O5 0 .2249 .2361 3.11 .046 .012 .060 0 0 -.014 |
|
O6 .0928 .3040 .1810 2.87 .017 .054 .038 -.008 .007 .010 |
|
O7 0 .3225 .2802 2.53 .055 .017 .024 0 0 -.003 |
|
O8 .0840 .3950 .3443 6.37 .050 .110 .082 -.001 -.044 -.041 |
|
O9 0 .4225 .2462 6.55 .205 .008 .036 0 0 -.016 |
|
O10 .0928 .4920 .1818 3.74 .033 .076 .033 .003 .010 -.006 |
|
O11 .2280 .1576 .1350 2.66 .027 .038 .036 -.002 -.007 -.006 |
|
O12 .2242 .0598 .3504 3.61 .042 .027 .068 -.003 -.009 .005 |
|
O13 .2381 .4586 .3559 5.90 .094 .032 .098 -.012 .073 .014 |
|
O14 .1754 .0893 .0555 3.00 .026 .079 .009 -.010 -.001 -.014 |
|
O15 .2329 .2564 .3357 3.16 .055 .028 .037 -.015 .003 -.004 |
|
O16 .25 .1829 .25 2.03 .037 .031 .009 0 .004 0 |
|
O17 .2381 .3553 .1332 2.79 .049 .036 .021 -.031 -.016 .012 |
|
O18 .25 .3290 .25 1.89 .029 .017 .026 0 .003 0 |
|
O19 .25 .0050 .25 5.66 .033 .146 .036 0 .003 0 |
|
O20 0 .0807 .0048 2.82 .036 .029 .042 0 0 -.003 |
|
O21 .1276 0 0 3.26 .033 .021 .070 0 0 -.005 |
|
O22 .1627 .4084 .4406 5.34 .102 .058 .043 .050 .025 .004 |
|
NaX1 0 .386 .999 .0186 1.7 |
|
KX1 0 .386 .999 .0013 1.7 |
|
MgX1 0 .386 .999 .023 1.7 |
|
CaX1 0 .386 .999 .0356 1.7 |
|
WatX1 0 .386 .999 .6824 1.7 |
|
NaX2 0 .183 .430 .0186 4.6 |
|
KX2 0 .183 .430 .0013 4.6 |
|
MgX2 0 .183 .430 .023 4.6 |
|
CaX2 0 .183 .430 .0356 4.6 |
|
WatX2 0 .183 .430 .6824 4.6 |
|
NaX3 0 .263 .996 .0186 3.9 |
|
KX3 0 .263 .996 .0013 3.9 |
|
MgX3 0 .263 .996 .023 3.9 |
|
CaX3 0 .263 .996 .0356 3.9 |
|
WatX3 0 .263 .996 .6824 3.9 |
|
NaX4 0 .081 .404 .0186 6.5 |
|
KX4 0 .081 .404 .0013 6.5 |
|
MgX4 0 .081 .404 .023 6.5 |
|
CaX4 0 .081 .404 .0356 6.5 |
|
WatX4 0 .081 .404 .6824 6.5 |
|
NaX5 .067 .281 .421 .0186 9.1 |
|
KX5 .067 .281 .421 .0013 9.1 |
|
MgX5 .067 .281 .421 .023 9.1 |
|
CaX5 .067 .281 .421 .0356 9.1 |
|
WatX5 .067 .281 .421 .6824 9.1 |
|
NaX6 .121 .458 .019 .0186 3.9 |
|
KX6 .121 .458 .019 .0013 3.9 |
|
MgX6 .121 .458 .019 .023 3.9 |
|
CaX6 .121 .458 .019 .0356 3.9 |
|
WatX6 .121 .458 .019 .6824 3.9 |
|
NaX7 0 .192 .071 .0186 11.0 |
|
KX7 0 .192 .071 .0013 11.0 |
|
MgX7 0 .192 .071 .023 11.0 |
|
CaX7 0 .192 .071 .0356 11.0 |
|
WatX7 0 .192 .071 .6824 11.0 |
|
NaX8 .151 .349 .994 .0186 6.6 |
|
KX8 .151 .349 .994 .0013 6.6 |
|
MgX8 .151 .349 .994 .023 6.6 |
|
CaX8 .151 .349 .994 .0356 6.6 |
|
WatX8 .151 .349 .994 .6824 6.6 |
|
NaX9 0 .390 .103 .0186 8.9 |
|
KX9 0 .390 .103 .0013 8.9 |
|
MgX9 0 .390 .103 .023 8.9 |
|
CaX9 0 .390 .103 .0356 8.9 |
|
WatX9 0 .390 .103 .6824 8.9 |
|
NaX10 .120 .268 .558 .0186 9.4 |
|
KX10 .120 .268 .558 .0013 9.4 |
|
MgX10 .120 .268 .558 .023 9.4 |
|
CaX10 .120 .268 .558 .0356 9.4 |
|
WatX10 .120 .268 .558 .6824 9.4 |
|
NaX11 .193 .271 .473 .0186 12.3 |
|
KX11 .193 .271 .473 .0013 12.3 |
|
MgX11 .193 .271 .473 .023 12.3 |
|
CaX11 .193 .271 .473 .0356 12.3 |
|
WatX11 .193 .271 .473 .6824 12.3 |
|
NaX12 0 .301 .064 .0186 8.9 |
|
KX12 0 .301 .064 .0013 8.9 |
|
MgX12 0 .301 .064 .023 8.9 |
|
CaX12 0 .301 .064 .0356 8.9 |
|
WatX12 0 .301 .064 .6824 8.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Muscovite |
 |
Brigatti M F, Galli E, Medici L, Poppi L, Cibin G, Marcelli A, Mottana A |
| |
European Journal of Mineralogy 13 (2001) 377-389 |
|
Chromium-containing muscovite: crystal chemistry and XANES spectroscopy |
|
Locality: Westland |
|
_database_code_amcsd 0006858 |
|
5.192 9.011 20.028 90 95.74 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
O11 .7510 .3106 .15823 1.18 .0093 .0043 .0007 -.0017 -.0002 .0004 |
|
O21 .2504 .3707 .16935 1.05 .0090 .0037 .0006 .0018 .0000 -.0002 |
|
O22 .4165 .0931 .16878 1.04 .0134 .0023 .0006 .0002 .0005 .0001 |
|
O31 .3853 .2518 .05356 .67 .0071 .0016 .0005 .0001 .0000 .0000 |
|
O32 .9612 .4436 .05363 .66 .0056 .0022 .0004 .0003 .0002 .0001 |
|
O4 .9567 .0626 .05052 .083 .75 .0059 .0024 .0005 -.0002 .0004 -.0003 |
|
OH4 .9567 .0626 .05052 .9145 .75 .0059 .0024 .0005 -.0002 .0004 -.0003 |
|
Cl4 .9567 .0626 .05052 .0025 .75 .0059 .0024 .0005 -.0002 .0004 -.0003 |
|
SiT1 .45154 .25856 .13581 .7775 .47 .0038 .0013 .0004 .0001 .0000 .0000 |
|
AlT1 .45154 .25856 .13581 .2225 .47 .0038 .0013 .0004 .0001 .0000 .0000 |
|
SiT2 .9649 .4297 .13577 .7775 .46 .0040 .0012 .0004 .0000 .0001 .0001 |
|
AlT2 .9649 .4297 .13577 .2225 .46 .0040 .0012 .0004 .0000 .0001 .0001 |
|
AlM1 .75 .25 0 .929 .50 |
|
TiM1 .75 .25 0 .0015 .50 |
|
FeM1 .75 .25 0 .0195 .50 |
|
CrM1 .75 .25 0 .031 .50 |
|
MgM1 .75 .25 0 .0405 .50 |
|
AlM2 .24994 .08338 .00005 .4645 .51 .0041 .0014 .0004 -.0001 .0001 .0000 |
|
TiM2 .24994 .08338 .00005 .0007 .51 .0041 .0014 .0004 -.0001 .0001 .0000 |
|
FeM2 .24994 .08338 .00005 .0098 .51 .0041 .0014 .0004 -.0001 .0001 .0000 |
|
CrM2 .24994 .08338 .00005 .0155 .51 .0041 .0014 .0004 -.0001 .0001 .0000 |
|
MgM2 .24994 .08338 .00005 .0202 .51 .0041 .0014 .0004 -.0001 .0001 .0000 |
|
BaA 0 .09883 .25 .044 1.54 .0151 .0049 .0009 .0000 .0003 .0000 |
|
NaA 0 .09883 .25 .103 1.54 .0151 .0049 .0009 .0000 .0003 .0000 |
|
KA 0 .09883 .25 .857 1.54 .0151 .0049 .0009 .0000 .0003 .0000 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Muscovite |
 |
Brigatti M F, Galli E, Medici L, Poppi L, Cibin G, Marcelli A, Mottana A |
| |
European Journal of Mineralogy 13 (2001) 377-389 |
|
Chromium-containing muscovite: crystal chemistry and XANES spectroscopy |
|
Locality: Northwest Nelson - Campbell Creek |
|
_database_code_amcsd 0006859 |
|
5.175 8.979 19.915 90 95.66 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
O11 .7524 .3077 .15853 1.20 .0067 .0036 .0011 -.0013 .0001 .0003 |
|
O21 .2518 .3727 .17000 1.08 .0069 .0032 .0009 .0008 0 -.0001 |
|
O22 .4108 .0928 .16950 1.07 .0113 .0025 .0008 .0003 .0005 0 |
|
O31 .3842 .2518 .05401 .65 .0046 .0013 .0007 -.0005 -.0001 .0001 |
|
O32 .9620 .4442 .05384 .73 .0038 .0021 .0007 .0005 .0002 0 |
|
O4 .9571 .0622 .05080 .0245 .76 .0041 .0019 .0008 -.0004 .0004 -.0003 |
|
OH4 .9571 .0622 .05080 .96 .76 .0041 .0019 .0008 -.0004 .0004 -.0003 |
|
F4 .9571 .0622 .05080 .0155 .76 .0041 .0019 .0008 -.0004 .0004 -.0003 |
|
SiT1 .4508 .25839 .13644 .7673 .54 .0028 .0011 .0006 0 .0001 0 |
|
AlT1 .4508 .25839 .13644 .2327 .54 .0028 .0011 .0006 0 .0001 0 |
|
SiT2 .9645 .42948 .13638 .7673 .53 .0032 .0009 .0006 -.0001 .0002 .0001 |
|
AlT2 .9645 .42948 .13638 .2327 .53 .0032 .0009 .0006 -.0001 .0002 .0001 |
|
AlM2 .2498 .08334 .00001 .9215 .57 .0033 .0011 .0006 -.0001 .0002 .0001 |
|
TiM2 .2498 .08334 .00001 .0095 .57 .0033 .0011 .0006 -.0001 .0002 .0001 |
|
FeM2 .2498 .08334 .00001 .0105 .57 .0033 .0011 .0006 -.0001 .0002 .0001 |
|
CrM2 .2498 .08334 .00001 .0495 .57 .0033 .0011 .0006 -.0001 .0002 .0001 |
|
MgM2 .2498 .08334 .00001 .01 .57 .0033 .0011 .0006 -.0001 .0002 .0001 |
|
CaA 0 .0979 .25 .004 1.84 .0161 .0056 .0013 0 .0006 0 |
|
NaA 0 .0979 .25 .268 1.84 .0161 .0056 .0013 0 .0006 0 |
|
KA 0 .0979 .25 .725 1.84 .0161 .0056 .0013 0 .0006 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Muscovite |
 |
Brigatti M F, Galli E, Medici L, Poppi L, Cibin G, Marcelli A, Mottana A |
| |
European Journal of Mineralogy 13 (2001) 377-389 |
|
Chromium-containing muscovite: crystal chemistry and XANES spectroscopy |
|
Locality: Northwest Nelson - Anatoki River |
|
_database_code_amcsd 0006860 |
|
5.206 9.040 20.058 90 95.79 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
O11 .7490 .3126 .1590 1.60 .0100 .0044 .0014 -.0004 0 0 |
|
O21 .2465 .3673 .1688 1.33 .0103 .0052 .0008 .0022 .0005 -.0001 |
|
O22 .4204 .0911 .1686 1.55 .0147 .0042 .0011 .0009 .0009 -.0002 |
|
O31 .3861 .2515 .0536 1.27 .0114 .0043 .0007 .0006 0 .0001 |
|
O32 .9614 .4416 .0538 1.05 .0101 .0027 .0007 .0004 .0002 -.0001 |
|
O4 .9566 .0619 .0504 .251 1.19 .0101 .0027 .0010 .0008 .0007 0 |
|
OH4 .9566 .0619 .0504 .728 1.19 .0101 .0027 .0010 .0008 .0007 0 |
|
F4 .9566 .0619 .0504 .0205 1.19 .0101 .0027 .0010 .0008 .0007 0 |
|
Cl4 .9566 .0619 .0504 .0005 1.19 .0101 .0027 .0010 .0008 .0007 0 |
|
SiT1 .4520 .2587 .13564 .7838 .92 .0076 .0028 .0006 .0003 .0002 0 |
|
AlT1 .4520 .2587 .13564 .2162 .92 .0076 .0028 .0006 .0003 .0002 0 |
|
SiT2 .9653 .43054 .13556 .7838 .84 .0078 .0019 .0007 0 .0002 .0001 |
|
AlT2 .9653 .43054 .13556 .2162 .84 .0078 .0019 .0007 0 .0002 .0001 |
|
AlM1 .75 .25 0 .913 2.03 |
|
TiM1 .75 .25 0 .0165 2.03 |
|
FeM1 .75 .25 0 .051 2.03 |
|
CrM1 .75 .25 0 .054 2.03 |
|
MgM1 .75 .25 0 .055 2.03 |
|
MnM1 .75 .25 0 .0005 2.03 |
|
AlM2 .2494 .0836 .00008 .4565 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
TiM2 .2494 .0836 .00008 .0083 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
FeM2 .2494 .0836 .00008 .0255 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
CrM2 .2494 .0836 .00008 .027 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
MgM2 .2494 .0836 .00008 .0275 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
MnM2 .2494 .0836 .00008 .0002 1.10 .0100 .0027 .0008 .0001 .0001 .0001 |
|
BaA 0 .0977 .25 .012 2.23 .0183 .0068 .0016 0 .0005 0 |
|
NaA 0 .0977 .25 .029 2.23 .0183 .0068 .0016 0 .0005 0 |
|
KA 0 .0977 .25 .959 2.23 .0183 .0068 .0016 0 .0005 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Katoite |
 |
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G |
| |
European Journal of Mineralogy 15 (2003) 419-426 |
|
A new occurrence of katoite and re-examination of the hydrogrossular group |
|
Sample: Unsplit-O model, T = 200 K |
|
_database_code_amcsd 0006980 |
|
12.270 12.270 12.270 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023 |
|
Al 0 0 0 .0137 .0137 .0137 .0137 -.0036 -.0036 -.0036 |
|
Si 3/8 0 1/4 .364 .0063 .0059 .0065 .0065 0 0 0 |
|
O .03237 .04982 .64450 .0219 .0298 .0173 .0187 -.0072 .0120 -.0073 |
|
H .075 .061 .655 .636 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Katoite |
 |
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G |
| |
European Journal of Mineralogy 15 (2003) 419-426 |
|
A new occurrence of katoite and re-examination of the hydrogrossular group |
|
Sample: Split-O model, T = 200 K |
|
_database_code_amcsd 0006981 |
|
12.270 12.270 12.270 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023 |
|
Al 0 0 0 .0136 .0136 .0136 .0136 -.0037 -.0037 -.0037 |
|
Si 3/8 0 1/4 .368 .0068 .0063 .0070 .0070 0 0 0 |
|
O1 .0439 .0436 .6528 .37 .0084 |
|
O2 .0250 .0537 .6393 .63 .0152 |
|
H .081 .060 .656 .63 .0380 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pumpellyite-(Mg) |
 |
Galli E, Alberti A |
 |
Acta Crystallographica B25 (1969) 2276-2281 |
|
On the crystal structure of pumpellyite |
|
_database_code_amcsd 0009365 |
|
8.83 5.9 19.17 90 97.12 90 A2/m |
|
atom x y z occ Biso |
|
Al .5 .25 .25 .50 .57 |
|
Mg .5 .25 .25 .35 .57 |
|
Fe .5 .25 .25 .15 .57 |
|
Ca1 .2502 .5 .3395 .95 .35 |
|
Mg1 .2502 .5 .3395 .05 .35 |
|
Ca2 .1895 .5 .1550 .95 .95 |
|
Mg2 .1895 .5 .1550 .05 .95 |
|
Si1 .0484 0 .0907 .93 .33 |
|
Al1 .0484 0 .0907 .07 .33 |
|
Si2 .1674 0 .2482 .93 .38 |
|
Al2 .1674 0 .2482 .07 .38 |
|
Si3 .4661 0 .4021 .93 .11 |
|
Al3 .4661 0 .4021 .07 .11 |
|
Al .2541 .2454 .4964 .08 |
|
O1 .1360 .2218 .0685 .56 |
|
O2 .2674 .2318 .2444 .86 |
|
O3 .3684 .222 .4209 .58 |
|
O4 .1304 .5 .4448 .27 |
|
OH5 .1283 0 .4558 .38 |
|
O6 .3695 .5 .0445 .37 |
|
OH7 .3665 0 .0338 .07 |
|
O8 .0376 0 .1779 .31 |
|
O9 .4746 .5 .1764 .40 |
|
O10 .0667 0 .3152 .40 |
|
OH11 .4992 .5 .3129 .24 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Rinkite |
 |
Galli E, Alberti A |
 |
Acta Crystallographica B27 (1971) 1277-1284 |
|
The crystal structure of rinkite |
|
Locality: Kangerdluarsuk, Greenland |
|
_database_code_amcsd 0009396 |
|
7.437 5.664 18.8430 90 101.38 90 P2_1/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ti 0 0 0 .515 .0027 .0286 .0013 -.0023 .0006 -.004 |
|
Nb 0 0 0 .327 .0027 .0286 .0013 -.0023 .0006 -.004 |
|
Al 0 0 0 .089 .0027 .0286 .0013 -.0023 .0006 -.004 |
|
Zr 0 0 0 .069 .0027 .0286 .0013 -.0023 .0006 -.004 |
|
Na .5 0 0 .66 .0099 .0162 .0004 .0002 .0001 -.0006 |
|
Ca .5 0 0 .19 .0099 .0162 .0004 .0002 .0001 -.0006 |
|
K1 .5 0 0 .02 .0099 .0162 .0004 .0002 .0001 -.0006 |
|
Na2 .7500 .5012 .0004 .759 .0086 .0097 .0021 .0006 .0010 .0016 |
|
Ca2 .7500 .5012 .0004 .219 .0086 .0097 .0021 .0006 .0010 .0016 |
|
K2 .7500 .5012 .0004 .022 .0086 .0097 .0021 .0006 .0010 .0016 |
|
Ca3 .0938 .6605 .1918 .685 .0038 .0113 .0010 .0000 .0003 .0004 |
|
Ce3 .0938 .6605 .1918 .262 .0038 .0113 .0010 .0000 .0003 .0004 |
|
Fe3 .0938 .6605 .1918 .053 .0038 .0113 .0010 .0000 .0003 .0004 |
|
Ca4 .5969 .6630 .1902 .685 .0054 .0190 .0011 .0003 .0005 .0003 |
|
Ce4 .5969 .6630 .1902 .262 .0054 .0190 .0011 .0003 .0005 .0003 |
|
Fe4 .5969 .6630 .1902 .053 .0054 .0190 .0011 .0003 .0005 .0003 |
|
Si1 .3515 .1541 .1403 .0039 .0132 .0006 -.0003 .0001 -.0001 |
|
Si2 .7831 .1530 .1379 .0041 .0109 .0006 -.0007 .0003 .0001 |
|
O1 .2172 .1488 .0609 .0093 .0122 .0011 -.0019 -.0008 .0001 |
|
O2 .8306 .1410 .0578 .0088 .0289 .0008 .0015 .0007 .0009 |
|
O3 .3379 .3971 .1849 .0086 .0160 .0021 .0005 .0015 -.0015 |
|
O4 .8436 .3949 .1797 .0089 .0125 .0022 -.0016 .0013 -.0022 |
|
O5 .3355 .9311 .1918 .0087 .0139 .0011 .0014 .0007 .0003 |
|
O6 .8559 .9365 .1903 .0087 .0116 .0012 .0006 .0003 .0005 |
|
O7 .5581 .1413 .1206 .007 .0324 .0015 .0002 .0007 -.0014 |
|
O8 .0308 .7052 .0617 .25 .0115 .0296 .0014 -.0041 .0006 .0000 |
|
F8 .0308 .7052 .0617 .75 .0115 .0296 .0014 .0041 .0006 .0000 |
|
O9 .5303 .6546 .0642 .25 .0156 .0155 .0014 .0017 .0008 .0003 |
|
F9 .5303 .6546 .0642 .75 .0156 .0155 .0014 .0017 .0008 .0003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Celestine |
 |
Brigatti M F, Galli E, ,Medici L |
 |
Mineralogical Magazine 61 (1997) 447-451 |
|
Ba-rich celestine: new data and crystal structure refinement |
|
Locality: filling cavities of volcanoclastic rocks, Montecchio Maggiore, Vicenza, Italy |
|
_database_code_amcsd 0014527 |
|
8.408 5.372 6.897 90 90 90 Pnma |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sr .1836 .25 .1585 .87 .66 .001379 .007537 .003784 0 -.000129 0 |
|
Ba .1836 .25 .1585 .13 .66 .001379 .007537 .003784 0 -.000129 0 |
|
S .4377 .75 .1851 .32 .000813 .002079 .002470 0 -.000216 0 |
|
O1 .5939 .75 .0945 1.5 .003183 .016460 .008409 0 .002156 0 |
|
O2 .3083 .75 .0437 1.1 .002829 .013861 .004730 0 -.001724 0 |
|
O3 .4220 .9760 .3106 .80 .003536 .003725 .004730 .001107 -.000690 -.001957 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Merlinoite |
 |
Galli E, Gottardi G, Pongiluppi D |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1979 (1979) 1-9 |
|
The crystal structure of the zeolite merlinoite |
|
Locality: in a vug of a lava from Cupaello, Rieti, Italy |
|
_database_code_amcsd 0014759 |
|
14.116 14.229 9.946 90 90 90 Immm |
|
atom x y z occ Biso |
|
K1 .156 .5 0 .42 3.8 |
|
Ba1 .156 .5 0 .04 3.8 |
|
K2 .5 .192 0 .41 3.8 |
|
Ba2 .5 .192 0 .04 3.8 |
|
CaCl .5 .5 .275 .15 12 |
|
KCl .5 .5 .275 .09 12 |
|
NaCl .5 .5 .275 .05 12 |
|
BaCl .5 .5 .275 .01 12 |
|
CaC2 .390 .363 0 .06 12 |
|
KC2 .390 .363 0 .04 12 |
|
NaC2 .390 .363 0 .01 12 |
|
BaC2 .390 .363 0 .01 12 |
|
CaC3 .333 .380 0 .10 12 |
|
KC3 .333 .380 0 .06 12 |
|
NaC3 .333 .380 0 .03 12 |
|
BaC3 .333 .380 0 .01 12 |
|
AlT1 .1097 .2473 .1563 .29 1.0 |
|
SiT1 .1097 .2473 .1563 .71 1.0 |
|
AlT2 .2816 .1102 .1596 .29 1.0 |
|
SiT2 .2816 .1102 .1596 .71 1.0 |
|
O1 .1235 .2830 0 1.8 |
|
O2 .3089 .1177 0 1.5 |
|
O3 0 .2155 .1839 1.8 |
|
O4 .2767 0 .2096 1.9 |
|
O5 .1765 .1568 .1924 2.3 |
|
O6 .3661 .1638 .2454 2.6 |
|
Watl .5 0 0 6.8 |
|
Wat2 0 .5 .158 4.9 |
|
Wat3 .385 .5 .159 .60 9.8 |
|
Wat4 .5 .5 0 .20 3.7 |
|
Wat5 .459 .274 0 .20 5.8 |
|
Wat6 .251 .464 0 .21 3.6 |
|
Wat7 .446 .420 .062 .20 11.2 |
|
Wat8 .443 .5 .5 .44 12.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Ca |
 |
Mazzi F, Galli E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
|
The tetrahedral framework of chabazite |
|
Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada |
|
Note: Occupancies invented to match formula and refinement |
|
Sample: C 1a, trigonal refinement |
|
_database_code_amcsd 0014779 |
|
9.4012 9.4012 9.4012 94.364 94.364 94.364 R-3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaX1 .2260 .2260 .2260 .15 4.7 .0151 .0151 .0151 .0129 .0129 .0129 |
|
NaX1 .2260 .2260 .2260 .028 4.7 .0151 .0151 .0151 .0129 .0129 .0129 |
|
KX1 .2260 .2260 .2260 .022 4.7 .0151 .0151 .0151 .0129 .0129 .0129 |
|
CaX2 .5801 .5801 .2340 .02 2.5 |
|
NaX2 .5801 .5801 .2340 .005 2.5 |
|
KX2 .5801 .5801 .2340 .005 2.5 |
|
CaX3 .4052 .4052 .4052 .16 4.7 |
|
NaX3 .4052 .4052 .4052 .04 4.7 |
|
KX3 .4052 .4052 .4052 .03 4.7 |
|
CaX4 .5 .5 0 .09 10.0 |
|
NaX4 .5 .5 0 .02 10.0 |
|
KX4 .5 .5 0 .01 10.0 |
|
Si .10459 .33338 -.12420 .737 .93 .0024 .0022 .0033 .0001 -.0002 -.0001 |
|
Al .10459 .33338 -.12420 .263 .93 .0024 .0022 .0033 .0001 -.0002 -.0001 |
|
O1 .2620 -.2620 0 2.6 .0061 .0061 .0089 .0000 -.0026 -.0026 |
|
O2 .1522 -.1522 .5 2.1 .0073 .0073 .0029 .0006 .0000 0 |
|
O3 .2525 .2525 -.1077 2.6 .0044 .0044 .0135 .0016 .0010 .0010 |
|
O4 .0249 .0249 .3238 2.4 .0063 .0063 .0083 .0027 .0018 .0018 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Ca |
 |
Mazzi F, Galli E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
|
The tetrahedral framework of chabazite |
|
Locality: Wasson's Bluff, Two Island, Nova Scotia, Canada |
|
Note: Occupancies invented to match formula and refinement |
|
Sample: C 1a, triclinic refinement |
|
_database_code_amcsd 0014780 |
|
9.4094 9.3955 9.4012 94.337 94.269 94.403 P-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaX1 .2258 .2269 .2262 .15 4.7 .0146 .0167 .0148 .0130 .0124 .0131 |
|
NaX1 .2258 .2269 .2262 .028 4.7 .0146 .0167 .0148 .0130 .0124 .0131 |
|
KX1 .2258 .2269 .2262 .022 4.7 .0146 .0167 .0148 .0130 .0124 .0131 |
|
CaX2A .5817 .2344 .5819 .02 .7 |
|
NaX2A .5817 .2344 .5819 .005 .7 |
|
KX2A .5817 .2344 .5819 .005 .7 |
|
CaX2B .5776 .5803 .2363 .02 3.1 |
|
NaX2B .5776 .5803 .2363 .005 3.1 |
|
KX2B .5776 .5803 .2363 .005 3.1 |
|
CaX2C .2381 .5788 .5795 .02 3.3 |
|
NaX2C .2381 .5788 .5795 .005 3.3 |
|
KX2C .2381 .5788 .5795 .005 3.3 |
|
CaX3 .4023 .4080 .4044 .16 4.8 |
|
NaX3 .4023 .4080 .4044 .04 4.8 |
|
KX3 .4023 .4080 .4044 .03 4.8 |
|
CaX4A .5 0 .5 .09 9.6 |
|
NaX4A .5 0 .5 .02 9.6 |
|
KX4A .5 0 .5 .01 9.6 |
|
CaX4B .5 .5 0 .09 9.8 |
|
NaX4B .5 .5 0 .02 9.8 |
|
KX4B .5 .5 0 .01 9.8 |
|
CaX4C 0 .5 .5 .09 10.1 |
|
NaX4C 0 .5 .5 .02 10.1 |
|
KX4C 0 .5 .5 .01 10.1 |
|
Si1 .3331 .1054 -.1227 .6964 .93 .0024 .0022 .0034 .0002 -.0003 .0003 |
|
Al1 .3331 .1054 -.1227 .302 .93 .0024 .0022 .0034 .0002 -.0003 .0003 |
|
Si2 .3343 -.1232 .1049 .6864 .95 .0021 .0038 .0023 -.0001 .0003 .0001 |
|
Al2 .3343 -.1232 .1049 .312 .95 .0021 .0038 .0023 -.0001 .0003 .0001 |
|
Si3 .1040 -.1243 .3347 .6794 .97 .0026 .0038 .0020 .0003 .0003 -.0002 |
|
Al3 .1040 -.1243 .3347 .319 .97 .0026 .0038 .0020 .0003 .0003 -.0002 |
|
Si4 .1037 .3339 -.1250 .7464 .90 .0025 .0020 .0032 .0004 -.0001 0 |
|
Al4 .1037 .3339 -.1250 .252 .90 .0025 .0020 .0032 .0004 -.0001 0 |
|
Si5 -.1246 .3323 .1037 .8 .95 .0034 .0020 .0026 0 .0001 -.0001 |
|
Al5 -.1246 .3323 .1037 .2 .95 .0034 .0020 .0026 0 .0001 -.0001 |
|
Si6 -.1231 .1041 .3317 .802 .97 .0035 .0026 .0022 .0003 -.0001 0 |
|
Al6 -.1231 .1041 .3317 .198 .97 .0035 .0026 .0022 .0003 -.0001 0 |
|
O1A -.2603 .0011 .2597 2.5 .0055 .0084 .0064 -.0021 -.0004 -.0018 |
|
O1B .2634 -.2605 -.0028 2.6 .0061 .0062 .0090 -.0007 .0027 .0021 |
|
O1C .0015 .2635 -.2647 2.8 .0099 .0070 .0060 -.0030 -.0036 .0006 |
|
O2A -.1508 .4983 .1508 2.0 .0071 .0025 .0074 .0005 -.0004 -.0004 |
|
O2B .1535 -.1518 .5026 2.2 .0084 .0076 .0026 .0010 .0001 .0001 |
|
O2C .4994 .1525 -.1534 2.1 .0034 .0070 .0075 .0004 -.0003 .0007 |
|
O3A .2525 -.1102 .2537 2.7 .0044 .0143 .0048 .0018 .0021 .0015 |
|
O3B .2518 .2542 -.1071 2.6 .0043 .0048 .0132 .0021 .0011 .0008 |
|
O3C -.1062 .2515 .2512 2.5 .0119 .0049 .0043 .0002 .0003 .0014 |
|
O4A .0226 .3219 .0225 2.5 .0070 .0085 .0069 .0019 .0029 .0023 |
|
O4B .0254 .0251 .3236 2.3 .0066 .0060 .0080 .0029 .0012 .0020 |
|
O4C .3248 .0269 .0273 2.3 .0080 .0057 .0068 .0018 .0007 .0016 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Na |
| |
Mazzi F, Galli E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
|
The tetrahedral framework of chabazite |
|
Locality: Richmond, Melbourne, Victoria, Australia |
|
Note: Occupancies invented to match formula and refinement |
|
Sample: C 4a, trigonal refinement |
|
_database_code_amcsd 0014781 |
|
9.4376 9.4376 9.4376 94.137 94.137 94.137 R-3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX1 .2089 .2089 .2089 .15 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
|
CaX1 .2089 .2089 .2089 .11 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
|
KX1 .2089 .2089 .2089 .04 3.9 .0128 .0128 .0128 .0122 .0122 .0122 |
|
NaX2 .5767 .5767 .2132 .015 4.1 |
|
CaX2 .5767 .5767 .2132 .011 4.1 |
|
KX2 .5767 .5767 .2132 .014 4.1 |
|
NaX3 .4030 .4030 .4030 .12 7.9 |
|
CaX3 .4030 .4030 .4030 .08 7.9 |
|
KX3 .4030 .4030 .4030 .03 7.9 |
|
NaX4 .5 .5 0 .07 10.1 |
|
CaX4 .5 .5 0 .045 10.1 |
|
KX4 .5 .5 0 .015 10.1 |
|
Si .10338 .33257 -.12461 .662 .95 .0026 .0019 .0035 .0005 .0002 -.0004 |
|
Al .10338 .33257 -.12461 .338 .95 .0026 .0019 .0035 .0005 .0002 -.0004 |
|
O1 .2650 -.2650 0 2.7 .0070 .0070 .0079 -.0001 -.0019 -.0019 |
|
O2 .1504 -.1504 .5 2.3 .0080 .0080 .0032 -.0003 .0008 .0008 |
|
O3 .2522 .2522 -.1082 2.5 .0045 .0045 .0124 .0016 .0001 .0001 |
|
O4 .0232 .0232 .3172 2.5 .0069 .0069 .0080 .0023 .0019 .0019 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Na |
| |
Mazzi F, Galli E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 461-480 |
|
The tetrahedral framework of chabazite |
|
Locality: Richmond, Melbourne, Victoria, Australia |
|
Note: Occupancies invented to match formula and refinement |
|
Note: This structure matches the reported bond lengths for C 4b, not C 4a |
|
Sample: C 4a, triclinic refinement |
|
_database_code_amcsd 0014782 |
|
9.4410 9.4344 9.4375 94.214 94.080 94.104 P-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX1 .2090 .2085 .2081 .15 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
|
CaX1 .2090 .2085 .2081 .11 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
|
KX1 .2090 .2085 .2081 .04 4.7 .0152 .0157 .0149 .0138 .0136 .0139 |
|
NaX2A .5765 .2152 .5783 .015 4.9 |
|
CaX2A .5765 .2152 .5783 .011 4.9 |
|
KX2A .5765 .2152 .5783 .014 4.9 |
|
NaX2B .5747 .5808 .2148 .015 4.8 |
|
CaX2B .5747 .5808 .2148 .011 4.8 |
|
KX2B .5747 .5808 .2148 .014 4.8 |
|
NaX2C .2092 .5686 .5758 .015 4.2 |
|
CaX2C .2092 .5686 .5758 .011 4.2 |
|
KX2C .2092 .5686 .5758 .014 4.2 |
|
NaX3 .4038 .4018 .4033 .12 8.3 |
|
CaX3 .4038 .4018 .4033 .08 8.3 |
|
KX3 .4038 .4018 .4033 .03 8.3 |
|
NaX4A .5 0 .5 .07 11.6 |
|
CaX4A .5 0 .5 .045 11.6 |
|
KX4A .5 0 .5 .015 11.6 |
|
NaX4B .5 .5 0 .07 11.7 |
|
CaX4B .5 .5 0 .045 11.7 |
|
KX4B .5 .5 0 .015 11.7 |
|
NaX4C 0 .5 .5 .07 12.2 |
|
CaX4C 0 .5 .5 .045 12.2 |
|
KX4C 0 .5 .5 .015 12.2 |
|
Si1 .3330 .1032 -.1251 .659 .94 .0018 .0027 .0034 .0003 -.0001 .0002 |
|
Al1 .3330 .1032 -.1251 .341 .94 .0018 .0027 .0034 .0003 -.0001 .0002 |
|
Si2 .3322 -.1249 .1035 .621 .95 .0021 .0037 .0023 -.0004 .0004 .0001 |
|
Al2 .3322 -.1249 .1035 .379 .95 .0021 .0037 .0023 -.0004 .0004 .0001 |
|
Si3 .1031 -.1246 .3321 .702 .92 .0027 .0031 .0020 .0003 .0005 -.0001 |
|
Al3 .1031 -.1246 .3321 .298 .92 .0027 .0031 .0020 .0003 .0005 -.0001 |
|
Si4 .1027 .3321 -.1246 .684 .93 .0023 .0020 .0037 .0006 .0004 -.0005 |
|
Al4 .1027 .3321 -.1246 .316 .93 .0023 .0020 .0037 .0006 .0004 -.0005 |
|
Si5 -.1245 .3329 .1036 .635 .99 .0036 .0021 .0028 -.0003 .0003 .0005 |
|
Al5 -.1245 .3329 .1036 .365 .99 .0036 .0021 .0028 -.0003 .0003 .0005 |
|
Si6 -.1239 .1038 .3334 .691 .94 .0035 .0026 .0019 .0002 -.0008 .0003 |
|
Al6 -.1239 .1038 .3334 .309 .94 .0035 .0026 .0019 .0002 -.0008 .0003 |
|
O1A -.2650 .0013 .2658 2.8 .0072 .0086 .0068 -.0030 .0001 -.0017 |
|
O1B .2654 -.2656 -.0012 2.8 .0078 .0080 .0071 .0002 -.0017 -.0014 |
|
O1C .0004 .2637 -.2642 2.5 .0080 .0063 .0061 -.0020 -.0018 -.0005 |
|
O2A -.1494 .5004 .1505 2.4 .0084 .0032 .0084 .0008 -.0010 .0005 |
|
O2B .1493 -.1507 .4990 2.1 .0088 .0065 .0028 -.0003 .0014 -.0001 |
|
O2C .5000 .1509 -.1510 2.3 .0040 .0089 .0069 .0008 .0010 .0005 |
|
O3A .2513 -.1084 .2519 2.5 .0053 .0123 .0041 -.0006 .0024 .0001 |
|
O3B .2525 .2517 -.1096 2.4 .0030 .0045 .0130 .0009 -.0001 .0003 |
|
O3C -.1072 .2526 .2534 2.6 .0122 .0050 .0051 .0003 .0002 .0015 |
|
O4A .0241 .3184 .0232 2.7 .0073 .0084 .0077 .0015 .0024 .0022 |
|
O4B .0224 .0230 .3168 2.4 .0061 .0077 .0078 .0028 .0022 .0029 |
|
O4C .3170 .0236 .0227 2.5 .0078 .0067 .0073 .0014 .0017 .0024 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Edingtonite |
 |
Mazzi F, Galli E, Gottardi G |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382 |
|
Crystal structure refinement of two tetragonal edingtonites |
|
Locality: Ice River, British Columbia, Canada |
|
_database_code_amcsd 0014790 |
|
9.581 9.581 6.526 90 90 90 P-42_1m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 0 .360719 .928 .003593 .003593 .010515 -.00061 0 0 |
|
K2 .5 0 .430858 .048 .001444 .001444 .000111 -.000727 0 0 |
|
SiT1 0 0 0 .613 .001953 .001953 .004057 0 0 0 |
|
AlT1 0 0 0 .390 .001953 .001953 .004057 0 0 0 |
|
SiT2 -.173413 .09336 .381197 .613 .001675 .002050 .004109 .00022 .000007 .000084 |
|
AlT2 -.173413 .09336 .381197 .390 .001675 .002050 .004109 .00022 .000007 .000084 |
|
O1 .173445 .326555 .623191 .002752 .002752 .008716 -.000367 -.000018 .000018 |
|
O2/3 -.044686 .196214 .465426 .003493 .003579 .007714 -.00046 -.000859 .000419 |
|
O4/5 -.137196 .038225 .144283 .00314 .004674 .007359 .000254 .000524 -.000674 |
|
Ow1 .1753 .3247 .1448 .918 3.05 |
|
Ow2 .3793 .1207 -.0211 .933 4.17 |
|
H1 .2385 .3693 .0594 .918 3.5 |
|
H2 .4134 .2020 .0435 .933 4.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Edingtonite |
 |
Mazzi F, Galli E, Gottardi G |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382 |
|
Crystal structure refinement of two tetragonal edingtonites |
|
Locality: Old Kilpatrick, Dumbartonshire, Scotland |
|
_database_code_amcsd 0014791 |
|
9.584 9.584 6.524 90 90 90 P-42_1m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ba1 .5 0 .640943 .879 .003331 .003331 .010308 -.000614 0 0 |
|
Na2 .5 0 .568205 .030 .004547 .004547 .002643 -.000835 0 0 |
|
K2 .5 0 .568205 .025 .004547 .004547 .002643 -.000835 0 0 |
|
SiT1 0 0 0 .612 .001917 .001917 .003161 0 0 0 |
|
AlT1 0 0 0 .388 .001917 .001917 .003161 0 0 0 |
|
SiT2 -.17305 .093529 .381427 .612 .00166 .001958 .003715 .00017 .000054 .000159 |
|
AlT2 -.17305 .093529 .381427 .388 .00166 .001958 .003715 .00017 .000054 .000159 |
|
O1 .174051 .325949 .622628 .002778 .002778 .008907 -.000406 -.000132 .000132 |
|
O2/3 -.044376 .195859 .465087 .003419 .003737 .006999 -.000617 -.000995 .00054 |
|
O4/5 -.137298 .03829 .144575 .003129 .004929 .006965 .000408 .00077 -.000374 |
|
Ow1 .1747 .3253 .1445 .939 3.20 |
|
Ow2 .3790 .1210 -.0195 .936 4.35 |
|
H1 .2385 .3693 .0594 .939 3.5 |
|
H2 .4134 .2020 .0435 .936 4.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Roggianite |
 |
Giuseppetti G, Mazzi F, Tadini C, Galli E |
|   |
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 307-314 |
|
The revised crystal structure of roggianite: Ca2[Be(OH)2Al2Si4O13]<2.5H2O |
|
Locality: Val Vigezzo, Novara, Italy |
|
_database_code_amcsd 0014856 |
|
18.33 18.33 9.16 90 90 90 I4/mcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .1769 .1769 .25 .017 .0196 .0196 .0114 -.0070 .0030 -.0030 |
|
Be .2619 .2381 0 .018 .0169 .0169 .0216 -.0009 0 0 |
|
O6 .2935 .2065 .1512 .017 .0181 .01818 .0146 .0044 -.0027 0.0027 |
|
H1 .324 .176 .145 .03 |
|
Al .2177 0 .25 .011 .0142 .0109 .0064 0 0 -.0016 |
|
Si1 .1044 .2810 0 .012 .0140 .01385 .0075 -.0029 0 0 |
|
Si2 .1159 .0408 0 .010 .0122 .0101 .0083 -.0005 0 0 |
|
O1 .1353 .3647 0 .016 .0140 .0140 .0192 -.0062 0 0 |
|
O2 .1641 .0579 .1457 .016 .0226 .0140 .0113 -.0004 .0034 -.0019 |
|
O3 .0579 .2673 .1461 .022 .0288 .0240 .0133 -.0126 .0077 -.0022 |
|
O4 .0451 .0936 0 .021 .0190 .0233 .0201 .0043 0 0 |
|
O5 .1725 .2246 0 .015 .0169 .0149 .0143 -.0034 0 0 |
|
Wat1 .409 .091 .154 .49 .14 |
|
Wat2 .375 .079 0 .27 .13 |
|
Wat3 .445 .055 .264 .41 .22 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mazzite-Mg |
| |
Galli E |
|   |
Rendiconti della Societa Italiana di Mineralogia e Petrologia 31 (1975) 599-612 |
|
Crystal structure refinement of mazzite |
|
Locality: Mont Semiol, Montbrison, Loire, France |
|
_database_code_amcsd 0017692 |
|
18.392 18.392 7.646 90 90 120 P6_3/mmc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .5 0 0 .05 .0019 .0030 .0217 .0015 .0020 .004 |
|
K1 .5 0 0 .42 .0019 .0030 .0217 .0015 .0020 .004 |
|
Ca1 .5 0 0 .03 .0019 .0030 .0217 .0015 .0020 .004 |
|
Ca2 0 0 .072 .22 23.2 |
|
Mg1 1/3 2/3 -.25 .0032 .0032 .0093 .0016 0 0 |
|
Si1 .1584 .4902 .25 .73 .0009 .0009 .0060 .0005 0 0 |
|
Al1 .1584 .4902 .25 .27 .0009 .0009 .0060 .0005 0 0 |
|
Si2 .3536 .0933 .0444 .73 .0010 .0007 .0059 .0004 .0002 .0000 |
|
Al2 .3536 .0933 .0444 .27 .0010 .0007 .0059 .0004 .0002 .0000 |
|
O1 .2589 .5178 .25 .0014 .0020 .0166 .001 0 0 |
|
O2 .4249 .8498 .25 .0014 .0016 .0116 .0008 0 0 |
|
O3 .3822 .1004 .25 .0024 .0027 .0078 .0017 0 0 |
|
O4 .4352 .1114 -.0721 .0021 .0025 .0106 .0014 .0009 .0008 |
|
O5 .1614 .3228 -.0016 .0014 .0022 .0107 .0011 .0004 .0008 |
|
O6 .2741 0 0 .0020 .0012 .0153 .0006 -.0003 -.0006 |
|
Wat1 .467 .934 .661 .5 6.4 |
|
Wat2 1/3 2/3 .016 4.3 |
|
Wat3 .271 .542 -.25 .44 5.4 |
|
Wat4 .566 .355 .25 .44 6.9 |
|
Wat5 .028 .148 .030 .23 7.7 |
|
Wat6 .088 .176 .25 .89 21.8 |
|
Wat7 .076 .152 -.25 .45 31.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Levyne-Ca |
 |
Merlino S, Galli E, Alberti A |
|   |
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 117-129 |
|
The crystal structure of levyne |
|
Note: a zeolite mineral |
|
Locality: small cavity in andesite from Nurri, Nuoro, Sardinia |
|
_database_code_amcsd 0015653 |
|
13.338 13.338 23.0140 90 90 120 R-3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 0 0 .1389 .0056 .0056 .0021 .0028 0 0 |
|
Ca2 0 0 .2782 .1288 3.4 |
|
Na 0 0 .2782 .1148 3.4 |
|
K1 0 0 .2782 .0364 3.4 |
|
Ca3 0 0 .4095 .1242 9.4 |
|
Na2 0 0 .4095 .1107 9.4 |
|
K2 0 0 .4095 .0351 9.4 |
|
Ca4 0 0 .4498 .069 .7 |
|
Na3 0 0 .4498 .0615 .7 |
|
K3 0 0 .4498 .0195 .7 |
|
Ca5 0 0 .5 .115 .7 |
|
Na4 0 0 .5 .1025 .7 |
|
K4 0 0 .5 .0325 .7 |
|
Si .0001 .2322 .0697 .65 .0008 .001 .0014 .0001 0 0 |
|
Al1 .0001 .2322 .0697 .35 .0008 .001 .0014 .0001 0 0 |
|
Si2 .2396 0 .5 .65 .0007 .0008 .0015 .0004 0 0 |
|
Al2 .2396 0 .5 .35 .0007 .0008 .0015 .0004 0 0 |
|
O1 .0339 .3493 .1079 .0062 .003 .0013 .0016 -.0006 -.0010 |
|
O2 .0920 -.0920 .0827 .0033 .0033 .0023 .0009 .0002 -.0002 |
|
O3 .1275 -.1275 -.0910 .0026 .0026 .0029 -.0007 .0005 -.0005 |
|
O4 .2643 0 0 .0054 .0048 .0028 .0024 .0001 .0002 |
|
O5 .2219 -.2219 .1793 .0024 .0024 .0025 -.0003 .0004 -.0004 |
|
Wat1 .2567 -.2567 -.1241 4.8 |
|
Wat2 .1222 -.1222 .2852 .73 8.0 |
|
Wat3 .2547 -.2547 .0187 .54 6.5 |
|
Wat4 .5429 -.5429 -.0445 .27 5.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Vertumnite |
 |
Galli E, Passaglia E |
|   |
Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 33-46 |
|
Vertumnite: its crystal structure and relationship with natural and synthetic phases |
|
Locality: Campomorto, Montalto di Castro |
|
_database_code_amcsd 0015668 |
|
5.755 5.755 25.12 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Al 0 0 0 1.2 |
|
Ca 1/3 2/3 .0212 1.1 |
|
SiT1 0 0 .1857 .353 2.8 |
|
AlT1 0 0 .1857 .277 2.8 |
|
SiT2 2/3 1/3 .1855 .364 3.1 |
|
AlT2 2/3 1/3 .1855 .286 3.1 |
|
OH1 .3054 .2500 .0407 1.6 |
|
OH2 1/3 2/3 .1208 .87 3.2 |
|
Wat2 1/3 2/3 .1208 .13 3.2 |
|
O1 0 0 .25 .78 5.5 |
|
O2 2/3 1/3 .25 .73 4.4 |
|
O3 .3350 .1232 .1608 .25 6.8 |
|
OH3 .3350 .1232 .1608 .71 6.8 |
|
Wat4 .231 .660 .25 .15 7.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Ca |
 |
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
|   |
Zeolites 2 (1982) 303-309 |
|
Position of cations and water molecules in hydrated chabazite. |
|
Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
|
Locality: Keller, Nidda, Germany |
|
Note: Natural chabazite |
|
_database_code_amcsd 0017686 |
|
9.428 9.428 9.428 94.14 94.14 94.14 R-3m |
|
atom x y z occ Biso |
|
K1 0 0 0 .01 4.80 |
|
Mg1 0 0 0 .02 4.80 |
|
Ca1 0 0 0 .1 4.80 |
|
Sr1 0 0 0 .02 4.80 |
|
K2 .1965 .1965 .1965 .03 2.0 |
|
Mg2 .1965 .1965 .1965 .08 2.0 |
|
Ca2 .1965 .1965 .1965 .29 2.0 |
|
Sr2 .1965 .1965 .1965 .06 2.0 |
|
K3 .406 .406 .406 .02 3.9 |
|
Mg3 .406 .406 .406 .05 3.9 |
|
Ca3 .406 .406 .406 .19 3.9 |
|
Sr3 .406 .406 .406 .04 3.9 |
|
K4 .579 .579 .233 .01 4.3 |
|
Mg4 .579 .579 .233 .02 4.3 |
|
Ca4 .579 .579 .233 .09 4.3 |
|
Sr4 .579 .579 .233 .02 4.3 |
|
Al1 .1035 .3338 .8741 .32 .82 |
|
Si1 .1035 .3338 .8741 .68 .82 |
|
O1 .2651 -.2651 0 2.64 |
|
O2 .1536 -.1536 .5 1.72 |
|
O3 .2494 .2494 .8947 2.68 |
|
O4 .0214 .0214 .3234 2.53 |
|
Wat1 .5 .5 0 10.9 |
|
Wat2 .256 .256 .509 .54 11.40 |
|
Wat3 .199 .357 .507 .33 13.0 |
|
Wat4 .367 -.367 .5 .29 11.80 |
|
Wat5 .585 .585 .316 .26 10.5 |
|
Wat6 .248 .248 .248 .77 5.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Na |
| |
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
|   |
Zeolites 2 (1982) 303-309 |
|
Position of cations and water molecules in hydrated chabazite. |
|
Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
|
Locality: Keller, Nidda, Germany |
|
Note: Na-exchanged |
|
_database_code_amcsd 0017687 |
|
9.425 9.425 9.425 94.06 94.06 94.06 R-3m |
|
atom x y z occ Biso |
|
Na1 .2013 .2013 .2013 .62 3.7 |
|
Na2 .431 .431 .431 .21 3.2 |
|
Na3 .572 .572 .223 .17 6.5 |
|
Na4 .602 .504 .185 .04 3.1 |
|
Al1 .1032 .3311 .8763 .31 1.01 |
|
Si1 .1032 .3311 .8763 .69 1.01 |
|
O1 .2640 -.2640 0 2.45 |
|
O2 .1443 -.1443 .5 2.29 |
|
O3 .2546 .2546 .8873 2.5 |
|
O4 .0250 .0250 .3078 2.41 |
|
Wat1 .5 .5 0 .90 9.8 |
|
Wat2 .277 .277 .539 .17 6.6 |
|
Wat3 .197 .305 .469 .22 5.8 |
|
Wat4 .354 -.354 .5 .23 13.2 |
|
Wat5 .621 .621 .386 .15 4.5 |
|
Wat6 .253 .253 .253 .25 4.0 |
|
Wat7 .368 .368 .193 .09 6.60 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-K |
| |
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
|   |
Zeolites 2 (1982) 303-309 |
|
Position of cations and water molecules in hydrated chabazite. |
|
Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
|
Locality: Keller, Nidda, Germany |
|
Note: K-exchanged |
|
_database_code_amcsd 0017688 |
|
9.442 9.442 9.442 94.29 94.29 94.29 R-3m |
|
atom x y z occ Biso |
|
Na1 .2249 .2249 .2249 .12 2.4 |
|
K1 .2249 .2249 .2249 .84 2.4 |
|
Na2 .388 .388 .388 .01 8.40 |
|
K2 .388 .388 .388 .07 8.40 |
|
Na3 .561 .561 .239 .01 9.4 |
|
K3 .561 .561 .239 .1 9.4 |
|
Na4 .529 .529 .107 .02 5.9 |
|
K4 .529 .529 .107 .1 5.9 |
|
Al1 .1040 .3332 .8755 .3 .84 |
|
Si1 .1040 .3332 .8755 .7 .84 |
|
O1 .2642 -.2642 0 2.59 |
|
O2 .1494 -.1494 .5 1.91 |
|
O3 .2497 .2497 .8919 2.12 |
|
O4 .0226 .0226 .3200 2.15 |
|
Wat1 .5 .5 0 .82 13.4 |
|
Wat2 .264 .264 .526 .33 4.6 |
|
Wat3 .196 .341 .518 .20 6.0 |
|
Wat4 .352 -.379 .432 .19 11.10 |
|
Wat5 .370 .370 .086 .15 9.60 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Ca |
 |
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
|   |
Zeolites 2 (1982) 303-309 |
|
Position of cations and water molecules in hydrated chabazite. |
|
Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
|
Locality: Keller, Nidda, Germany |
|
Note: Ca-exchanged |
|
_database_code_amcsd 0017689 |
|
9.401 9.401 9.401 94.39 94.39 94.39 R-3m |
|
atom x y z occ Biso |
|
Ca1 0 0 0 .10 4.5 |
|
Ca2 .193 .193 .193 .15 3.3 |
|
Ca3 .408 .408 .408 .17 2.8 |
|
Ca4 .579 .579 .231 .17 3.8 |
|
Al1 .1046 .3336 .8763 .3 1.09 |
|
Si1 .1046 .3336 .8763 .7 1.09 |
|
O1 .2611 -.2611 0 2.87 |
|
O2 .1533 -.1533 .5 2.23 |
|
O3 .2545 .2545 .8927 2.81 |
|
O4 .0268 .0268 .3262 2.91 |
|
Wat1 .5 .5 0 .97 10.6 |
|
Wat2 .237 .237 .519 .28 12.6 |
|
Wat3 .246 .342 .543 .23 9.8 |
|
Wat4 .365 -.365 .5 .09 5.20 |
|
Wat5 .584 .584 .334 .13 4.70 |
|
Wat6 .251 .251 .251 .60 4.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chabazite-Sr |
| |
Alberti A, Galli E, Vezzalini G, Passaglia E, Zanazzi P F |
|   |
Zeolites 2 (1982) 303-309 |
|
Position of cations and water molecules in hydrated chabazite. |
|
Natural and Na-, Ca-, Sr- and K-exchanged chabazites |
|
Locality: Keller, Nidda, Germany |
|
Note: Sr-exchanged |
|
_database_code_amcsd 0017690 |
|
9.416 9.416 9.416 93.87 93.87 93.87 R-3m |
|
atom x y z occ Biso |
|
Sr1 0 0 0 .11 4.4 |
|
Sr2 .1918 .1918 .1918 .31 2.8 |
|
Sr3 .4133 .4133 .4133 .35 3.1 |
|
Sr4 .571 .571 .270 .10 4.6 |
|
Al1 .1030 .3338 .8726 .3 .98 |
|
Si1 .1030 .3338 .8726 .7 .98 |
|
O1 .2662 -.2662 0 2.52 |
|
O2 .1541 -.1541 .5 1.93 |
|
O3 .2465 .2465 .8933 2.64 |
|
O4 .0196 .0196 .3253 2.13 |
|
Wat1 .5 .5 0 .60 10.7 |
|
Wat2 .238 .238 .496 .50 8.8 |
|
Wat3 .148 .382 .502 .26 12.60 |
|
Wat4 .354 -.354 .5 .23 12.30 |
|
Wat5 .237 .237 .237 .55 2.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) 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 |
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Al11 .0739 .8716 .8304 .117 .019 |
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Si12 .1973 .8274 .7041 .883 .020 |
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Al12 .1973 .8274 .7041 .117 .020 |
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O1 .3865 .0561 .7848 .043 |
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O2 .3176 .0617 -.0559 .044 |
|
O3 .2018 .0604 .0292 .054 |
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O4 .0882 .0621 -.0641 .051 |
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O5 .1266 .0597 .7506 .046 |
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O6 .2560 .0572 .7697 .063 |
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O7 .3850 .8438 .7906 .040 |
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O8 .3146 .8435 -.0545 .052 |
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O9 .1941 .8451 .0283 .034 |
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O10 .0808 .8404 -.0629 .050 |
|
O11 .1273 .8400 .7553 .057 |
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O12 .2553 .8489 .7716 .059 |
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O13 .3182 -.0493 .838 .103 |
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O14 .0837 -.0503 .8367 .057 |
|
O15 .4146 .1297 .6267 .046 |
|
O16 .4011 -.0006 .6084 .048 |
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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 |
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O25 .2811 .75 .077 .041 |
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O26 .1082 .75 .070 .031 |
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Ca .4840 .25 .923 .21 .023 |
|
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 |
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CaX4 .191 .25 .010 .022 .111 |
|
NaX4 .191 .25 .010 .021 .111 |
|
WatX4 .191 .25 .010 .417 .111 |
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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 |
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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 |
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