|
Clinoptilolite-Na |
 |
Armbruster T, Gunter M E |
 |
American Mineralogist 76 (1991) 1872-1883 |
|
Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, |
|
U.S.A.: A single-crystal X-ray study at 100 K |
|
sample name: natural |
|
_database_code_amcsd 0001429 |
|
17.640 17.940 7.405 90 116.53 90 C2/m |
|
atom x y z occ Biso |
|
Na1 .1543 0 .6688 4.45 |
|
Na1" .254 0 .843 3.95 |
|
Ca2 .4592 0 .804 .37 1.8 |
|
Ca2' .5 -.0295 .5 .44 5.8 |
|
Ca21 .466 0 .739 .10 4.2 |
|
K3 .743 0 .072 .07 1.6 |
|
K3' 0 0 0 .26 4.0 |
|
Mg4 0 0 .5 .04 3.95 |
|
Al1 .1796 .1703 .0941 .21 .80 |
|
Si1 .1796 .1703 .0941 .79 .80 |
|
Al2 .2884 .0899 .5006 .39 .83 |
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Si2 .2884 .0899 .5006 .61 .83 |
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Al3 .2926 .3096 .2848 .18 .81 |
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Si3 .2926 .3096 .2848 .82 .81 |
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Al4 .0642 .2990 .4097 .16 .86 |
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Si4 .0642 .2990 .4097 .84 .86 |
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Al5 0 .2139 0 .16 .89 |
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Si5 0 .2139 0 .84 .89 |
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O1 .3039 0 .5437 2.06 |
|
O2 .2307 .1198 .6116 1.93 |
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O3 .1818 .1550 -.1170 2.01 |
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O4 .2390 .1073 .2541 1.77 |
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O5 0 .3268 .5 2.10 |
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O6 .0823 .1599 .0666 1.44 |
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O7 .3735 .2655 .4534 2.49 |
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O8 .0072 .2672 .1833 1.95 |
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O9 .2110 .2542 .1787 1.65 |
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O10 .1155 .3723 .3963 1.84 |
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OH11 .2237 .5 -.001 3.7 |
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OH12 .0841 0 .875 .60 11.9 |
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OH13 .0778 .4196 .9672 4.89 |
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OH14 0 .5 .5 5.9 |
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OH15 -.0262 .0899 .508 .40 8.1 |
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OH16 .0941 0 .272 .69 6.0 |
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OH16' .423 .458 .645 .19 7.27 |
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OH17 .058 .042 .705 .15 4.3 |
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OH18 .045 0 .085 .11 3.95 |
|
|
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View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Na |
|
Armbruster T, Gunter M E |
|
American Mineralogist 76 (1991) 1872-1883 |
|
Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, |
|
U.S.A.: A single-crystal X-ray study at 100K |
|
sample name: dehyd1 |
|
_database_code_amcsd 0001430 |
|
17.628 17.902 7.403 90 116.52 90 C2/m |
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atom x y z occ Biso |
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Na1 .1496 0 .6672 .74 2.9 |
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Na1' .181 0 .682 .32 2.37 |
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Ca2 .4596 0 .8057 .33 1.46 |
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Ca21 .4646 0 .743 .12 2.5 |
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K3 .7430 0 .075 .07 1.8 |
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Mg4 0 0 .5 .08 3.95 |
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Al1 .17953 .17019 .0971 .21 .737 |
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Si1 .17953 .17019 .0971 .79 .737 |
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Al2 .28884 .08997 .5011 .39 .77 |
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Si2 .28884 .08997 .5011 .61 .77 |
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Al3 .29244 .30966 .2845 .18 .743 |
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Si3 .29244 .30966 .2845 .82 .743 |
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Al4 .06395 .29883 .4090 .16 .788 |
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Si4 .06395 .29883 .4090 .84 .788 |
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Al5 0 .2133 0 .16 .81 |
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Si5 0 .2133 0 .84 .81 |
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O1 .3047 0 .5443 1.96 |
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O2 .2307 .1197 .6117 1.84 |
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O3 .1811 .1546 -.1179 1.91 |
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O4 .2400 .1077 .2545 1.71 |
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O5 0 .3267 .5 2.04 |
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O6 .0825 .1593 .0677 1.38 |
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O7 .3729 .2651 .4532 2.41 |
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O8 .0068 .2667 .1831 1.85 |
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O9 .2105 .2547 .1764 1.50 |
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O10 .1147 .3724 .3938 1.72 |
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OH11 .2239 .5 -.0027 3.29 |
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OH12 .0833 0 .871 .56 13.4 |
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OH13 .0779 .4193 .9672 4.67 |
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OH14 0 .5 .5 5.7 |
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OH15 -.0264 .0893 .509 .33 7.3 |
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OH16 .0940 0 .276 .70 5.3 |
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OH16' .424 .542 .643 .18 7.87 |
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OH17 .0582 .0393 .706 .17 3.3 |
|
OH18 .043 0 .080 .10 3.95 |
|
|
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View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Na |
|
Armbruster T, Gunter M E |
|
American Mineralogist 76 (1991) 1872-1883 |
|
Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, |
|
U.S.A.: A single-crystal X-ray study at 100K |
|
sample name: dehyd2 |
|
_database_code_amcsd 0001431 |
|
17.607 17.692 7.412 90 116.84 90 C2/m |
|
atom x y z occ Biso |
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Na1 .138 0 .6700 .12 3.95 |
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Na1' .1838 0 .7263 .70 5.2 |
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Ca2 .4663 0 .7626 .386 2.60 |
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K3 .743 0 .057 .05 1.1 |
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Mg4 0 0 .5 .05 3.95 |
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Al1 .17980 .16754 .0937 .21 .986 |
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Si1 .17980 .16754 .0937 .79 .986 |
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Al2 .29307 .09038 .5050 .39 1.021 |
|
Si2 .29307 .09038 .5050 .61 1.021 |
|
Al3 .28906 .31107 .2783 .18 .989 |
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Si3 .28906 .31107 .2783 .82 .989 |
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Al4 .06393 .29480 .4088 .16 1.020 |
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Si4 .06393 .29480 .4088 .84 1.020 |
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Al5 0 .20784 0 .16 .99 |
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Si5 0 .20784 0 .84 .99 |
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O1 .3106 0 .5496 2.93 |
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O2 .2366 .1182 .6206 2.83 |
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O3 .1828 .1489 -.1186 2.30 |
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O4 .2434 .1078 .2592 1.93 |
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O5 0 .3208 .5 3.14 |
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O6 .0829 .1536 .0641 1.61 |
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O7 .3678 .2660 .4506 3.21 |
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O8 .0081 .2613 .1844 2.35 |
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O9 .2079 .2548 .1620 1.58 |
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O10 .1101 .3721 .3899 2.23 |
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OH11 .2185 .5 -.006 6.4 |
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OH12 .0741 0 .873 .40 5.8 |
|
OH13 .0757 .4150 .9591 .58 8.1 |
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OH13' .053 .5 .952 .43 18.3 |
|
OH14 0 .5 .5 7.8 |
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OH15 -.024 .095 .501 .06 3.95 |
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OH16 .092 0 .307 .24 4.8 |
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OH16' .422 .537 .603 .17 10.8 |
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OH17 .059 .035 .669 .07 3.95 |
|
OH18 .106 0 .114 .08 3.95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Na |
|
Armbruster T, Gunter M E |
|
American Mineralogist 76 (1991) 1872-1883 |
|
Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, |
|
U.S.A.: A single-crystal X-ray study at 100K |
|
sample name: dehyd3 |
|
_database_code_amcsd 0001432 |
|
17.576 17.580 7.403 90 116.97 90 C2/m |
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atom x y z occ Biso |
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Na1' .1914 0 .7517 .66 3.8 |
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Na1" .254 0 .843 .12 3.95 |
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Ca2 .4697 0 .7577 .33 3.2 |
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K3 .7447 0 .059 .18 3.29 |
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Al1 .1805 .1657 .0945 .21 1.20 |
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Si1 .1805 .1657 .0945 .79 1.20 |
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Al2 .2960 .0903 .5090 .39 1.28 |
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Si2 .2960 .0903 .5090 .61 1.28 |
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Al3 .2873 .3121 .2750 .18 1.25 |
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Si3 .2873 .3121 .2750 .82 1.25 |
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Al4 .0638 .2917 .4088 .16 1.30 |
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Si4 .0638 .2917 .4088 .84 1.30 |
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Al5 0 .2045 0 .16 1.20 |
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Si5 0 .2045 0 .84 1.20 |
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O1 .3160 0 .5558 3.7 |
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O2 .2406 .1167 .6279 3.66 |
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O3 .1853 .1459 -.1156 2.53 |
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O4 .2448 .1072 .2630 2.26 |
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O5 0 .3166 .5 4.5 |
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O6 .0834 .1506 .0626 1.84 |
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O7 .3667 .2684 .4494 3.93 |
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O8 .0087 .2580 .1849 2.91 |
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O9 .2073 .2538 .1580 1.81 |
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O10 .1081 .3701 .3880 2.83 |
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OH11 .204 .5 -.033 .72 8.5 |
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OH12 .0789 0 .868 .47 5.8 |
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OH13 .080 .4147 .953 .62 20.2 |
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OH13' .028 .5 .930 .38 19.7 |
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OH14 0 .5 .5 12.2 |
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OH15 .050 .04 .56 .03 3.95 |
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OH16 .097 0 .337 .15 5.6 |
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OH16' .418 .536 .58 .17 13.8 |
|
OH18 .108 0 .119 .12 3.95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinoptilolite-Na |
|
Armbruster T, Gunter M E |
|
American Mineralogist 76 (1991) 1872-1883 |
|
Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, |
|
U.S.A.: A single-crystal X-ray study at 100K |
|
sample name: dehyd4 |
|
_database_code_amcsd 0001433 |
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17.00 16.66 7.350 90 116.44 90 C2/m |
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atom x y z occ Biso |
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Na1" .2977 0 .940 .60 4.0 |
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Ca2' .5 -.0295 .5 .44 5.8 |
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K3' 0 0 0 .26 4.0 |
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Al1 .1834 .1513 .0852 .21 1.63 |
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Si1 .1834 .1513 .0852 .79 1.63 |
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Al2 .3251 .0914 .5100 .39 1.53 |
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Si2 .3251 .0914 .5100 .61 1.53 |
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Al3 .2571 .3239 .2433 .18 1.73 |
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Si3 .2571 .3239 .2433 .82 1.73 |
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Al4 .0722 .2567 .4332 .16 1.51 |
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Si4 .0722 .2567 .4332 .84 1.51 |
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Al5 0 .1864 0 .16 1.58 |
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Si5 0 .1864 0 .84 1.58 |
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O1 .3678 0 .539 2.3 |
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O2 .2992 .1110 .6971 2.6 |
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O3 .2110 .1269 -.0940 2.7 |
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O4 .2403 .0989 .2845 2.6 |
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O5 0 .2279 .5 4.6 |
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O6 .0790 .1287 .0128 2.2 |
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O7 .3389 .2941 .4522 3.2 |
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O8 .0337 .2451 .1915 3.5 |
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O9 .1966 .2472 .1233 2.4 |
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O10 .0925 .3517 .4787 2.71 |
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OH19 .088 .468 .840 .37 7.9 |
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OH20 .597 .5 .227 .19 3.95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Heulandite-Ca |
| |
Gunter M E, Armbruster T, Kohler T, Knowles C R |
|
American Mineralogist 79 (1994) 675-682 |
|
Crystal structure and optical properties of Na- and Pb-exchanged |
|
heulandite-group zeolites |
|
Sample: nonexchanged |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001668 |
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17.671 17.875 7.412 90 116.39 90 C2/m |
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atom x y z occ Biso |
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Na1 .1549 0 .6666 .228 6.3 |
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Ca1 .1549 0 .6666 .44 6.3 |
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Ca2 .5402 0 .2031 .484 2.74 |
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K .2763 0 .01 .03 9.9 |
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Na2 .2763 0 .01 .097 9.9 |
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Si1 .1794 .1698 .0967 .753 1.34 |
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Al1 .1794 .1698 .0967 .247 1.34 |
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Si2 .2886 .0899 .5008 .753 1.42 |
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Al2 .2886 .0899 .5008 .247 1.42 |
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Si3 .2917 .3096 .2831 .753 1.35 |
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Al3 .2917 .3096 .2831 .247 1.35 |
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Si4 .0646 .2984 .411 .753 1.34 |
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Al4 .0646 .2984 .411 .247 1.34 |
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Si5 0 .2131 0 .753 1.4 |
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Al5 0 .2131 0 .247 1.4 |
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O1 .3048 0 .5466 2.8 |
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O2 .2313 .1194 .6132 3.05 |
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O3 .1833 .1543 .8842 3.22 |
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O4 .2385 .1065 .2555 2.45 |
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O5 0 .3259 .5 3.4 |
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O6 .082 .1587 .0626 2.22 |
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O7 .3729 .266 .4508 3.26 |
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O8 .0089 .2662 .1842 2.78 |
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O9 .2103 .2542 .1783 2.64 |
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O10 .1155 .3723 .3988 2.64 |
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OH11 .2763 0 .01 .83 9.9 |
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OH12 .5 0 .5 7.9 |
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OH13 .4228 .0817 .0307 5.4 |
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OH14 .094 0 .285 13.2 |
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OH15 .082 .005 .867 .43 11.84 |
|
OH16 0 .0873 .5 20.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite-Na |
| |
Gunter M E, Armbruster T, Kohler T, Knowles C R |
|
American Mineralogist 79 (1994) 675-682 |
|
Crystal structure and optical properties of Na- and Pb-exchanged |
|
heulandite-group zeolites |
|
Sample: Na-exchanged |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001669 |
|
17.767 17.977 7.422 90 116.14 90 C2/m |
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atom x y z occ Biso |
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Na1 .1726 0 .689 .80 10.3 |
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Na2 .5392 0 .243 .84 7.3 |
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Na3 .2839 0 .029 .16 16.1 |
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Si1 .1788 .1698 .0958 .753 1.49 |
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Al1 .1788 .1698 .0958 .247 1.49 |
|
Si2 .2864 .0892 .4949 .753 1.53 |
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Al2 .2864 .0892 .4949 .247 1.53 |
|
Si3 .2905 .3098 .2826 .753 1.52 |
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Al3 .2905 .3098 .2826 .247 1.52 |
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Si4 .0673 .2978 .4171 .753 1.52 |
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Al4 .0673 .2978 .4171 .247 1.52 |
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Si5 0 .2165 0 .753 1.6 |
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Al5 0 .2165 0 .247 1.6 |
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O1 .3026 0 .537 2.4 |
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O2 .2341 .1197 .6182 3.23 |
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O3 .1879 .1556 .891 4. |
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O4 .2311 .1033 .2498 2.79 |
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O5 0 .3218 .5 3.8 |
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O6 .0807 .1609 .0493 2.83 |
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O7 .3737 .2686 .4492 3.37 |
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O8 .0145 .2709 .1862 3.4 |
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O9 .2123 .2521 .1875 2.93 |
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O10 .1199 .3719 .4212 2.99 |
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OH11 .2839 0 .029 .68 16.1 |
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OH12 .5 0 .5 13.6 |
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OH13 .422 .0814 .035 13.1 |
|
OH14 .074 0 .04 .56 26.9 |
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OH15 .082 0 .271 25.4 |
|
OH16 .072 -.029 .758 .37 11.84 |
|
O17 0 .1 .5 22.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite |
|
Gunter M E, Armbruster T, Kohler T, Knowles C R |
|
American Mineralogist 79 (1994) 675-682 |
|
Crystal structure and optical properties of Na- and Pb-exchanged |
|
heulandite-group zeolites |
|
Sample: Pb-exchanged |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001670 |
|
17.767 17.917 7.432 90 116.33 90 Cm |
|
atom x y z occ Biso |
|
Si1 .1796 .1695 .091 .753 1.04 |
|
Al1 .1796 .1695 .091 .247 1.04 |
|
Si2 .8222 .8315 -.094 .753 1.01 |
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Al2 .8222 .8315 -.094 .247 1.01 |
|
Si3 .2874 .0894 .493 .753 .98 |
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Al3 .2874 .0894 .493 .247 .98 |
|
Si4 .7161 -.0903 .503 .753 1.38 |
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Al4 .7161 -.0903 .503 .247 1.38 |
|
Si5 .2961 .3081 .288 .753 1.03 |
|
Al5 .2961 .3081 .288 .247 1.03 |
|
Si6 .7105 .6919 .718 .753 1.04 |
|
Al6 .7105 .6919 .718 .247 1.04 |
|
Si7 .0670 .2991 .417 .753 .94 |
|
Al7 .0670 .2991 .417 .247 .94 |
|
Si8 -.0634 .6980 .589 .753 1.1 |
|
Al8 -.0634 .6980 .589 .247 1.1 |
|
Si9 0 .2160 0 .753 1.3 |
|
Al9 0 .2160 0 .247 1.3 |
|
O1 .299 0 .555 2.4 |
|
O2 .199 .5 .458 2.2 |
|
O3 .2351 .1248 .613 2.5 |
|
O4 .7762 .877 .403 2.6 |
|
O5 .188 .1508 .885 3.2 |
|
O6 .8193 .8482 .117 1.8 |
|
O7 .231 .1017 .245 3.2 |
|
O8 .7611 .8948 .752 1.2 |
|
O9 0 .328 .5 2.3 |
|
O10 .082 .1623 .047 2.9 |
|
O11 -.0824 .8414 -.067 1.2 |
|
O12 .3807 .2654 .453 2.5 |
|
O13 .631 .7368 .558 2.7 |
|
O14 .0099 .2643 .194 2.7 |
|
O15 -.0123 .7257 .817 2.5 |
|
O16 .2118 .2526 .178 2.3 |
|
O17 .7891 .7478 .829 2.2 |
|
O18 .1187 .3726 .401 1.5 |
|
O19 .882 .625 .58 3.3 |
|
Pb1 .1505 0 .679 .32 5.4 |
|
Pb2 .852 0 .327 .4 4.4 |
|
Pb3 .0381 .5 .1979 .6 2.97 |
|
Pb4 .217 0 .877 .14 6.4 |
|
Pb5 .794 0 .14 .12 4.9 |
|
Pb6 -.011 .0768 .667 .14 12.7 |
|
Pb7 .009 .9 .484 .07 12.7 |
|
O20 .4218 .0873 .034 2.9 |
|
O21 .017 .074 .322 .76 2. |
|
O22 .499 0 .502 8.4 |
|
O23 -.076 0 .121 .88 7.61 |
|
O24 .077 0 .268 1.14 9.29 |
|
O25 .274 0 -.004 .6 2.2 |
|
O26 .724 0 -.018 .86 8.7 |
|
O27 .29 0 .25 .22 6.32 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tamaite |
| |
Hughes J M, Rakovan J F, Bracco R, Gunter M E |
|
American Mineralogist 88 (2003) 1324-1330 |
|
The atomic arrangemetn of the ganophyllite-group modulated layer silicates as |
|
determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A |
|
ganophyllite-group superstructure revealed |
|
Note: signs of the y-coordinates for O24 and O25 have been changed |
|
_database_code_amcsd 0003154 |
|
16.8146 25.2036 13.3866 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 -.58201 -.01781 .30893 .0135 .00919 .02295 .00828 -.00092 .00035 -.00313 |
|
Mn2 -.58477 -.99737 .55744 .0133 .00676 .02366 .00939 -.00175 -.00018 -.00609 |
|
Mn3 -.74898 -.01450 .42999 .0151 .00748 .02824 .00958 -.00150 .00044 -.00449 |
|
Mn4 -.74917 -.00989 .17972 .0195 .01042 .04001 .00820 .00063 .00049 .00135 |
|
Mn5 -.91573 -.01802 .30845 .0169 .01327 .02575 .01160 -.00173 -.00020 .00136 |
|
Mn6 -.58239 -.00233 .05744 .0092 .00528 .01654 .00578 -.00071 .00154 -.00020 |
|
Si1 -.87449 -.11773 .4679 .0090 .00525 .01578 .00606 .00182 -.00107 -.00055 |
|
Si2 -.85372 -.11855 .1378 .0110 .00412 .02035 .00842 .00067 -.00080 .00323 |
|
Si3 -.53570 -.12257 .1419 .0094 .00530 .01453 .00845 -.00247 .00130 -.00172 |
|
Si4 -.4746 -.90508 .3040 .0365 .08592 .01840 .00510 -.01249 -.00409 -.00261 |
|
Si5 -.6939 -.10480 .0262 .0117 .00679 .02271 .00556 .00065 .00103 .00153 |
|
Si6 -.48436 -.88666 .5307 .0095 .00513 .01577 .00756 -.00162 .00082 -.00438 |
|
Si7 -.1349 -.90364 .3056 .0406 .09004 .02561 .00626 .02111 .00293 .00101 |
|
Si8 -.3071 -.90682 .2005 .0397 .06938 .03503 .01467 -.01357 -.00060 .00124 |
|
Si9 -.70962 -.81341 .8138 .0106 .00629 .01699 .00854 .00082 .00092 -.00078 |
|
Si10 -.39833 -.81326 .6817 .0104 .00794 .01535 .00779 -.00052 -.00035 -.00131 |
|
O1H -.6393 -.9679 .4241 .0152 .01184 .02021 .01344 -.00004 -.00164 -.00418 |
|
H1 -.639 -.938 .421 .02 |
|
O2H -.6942 -.0422 .5670 .0145 .01063 .02429 .00849 -.00163 .00053 -.00134 |
|
H2 -.700 -.079 .582 .07 |
|
O3H -.6961 -.0544 .3020 .0147 .01146 .02255 .01010 -.00031 -.00186 -.00380 |
|
H3 -.698 -.089 .31 .10 |
|
O4 -.6344 -.9663 .1848 .021 .02321 .03078 .00877 .00556 .00090 .00329 |
|
O5 -.8074 -.9697 .3045 .020 .02208 .02909 .00890 -.00276 .00365 -.00407 |
|
O6 -.8617 -.0563 .4393 .0163 -.01311 .01941 .01637 -.00169 -.00388 .00095 |
|
O7 -.8594 -.0569 .1703 .0143 .00984 .02186 .01113 -.00059 -.00163 .00101 |
|
O8H -.4709 -.9664 .0710 .0169 .01821 .01598 .01658 -.00150 -.00157 .00003 |
|
H8 -.472 -.931 .086 .02 |
|
O9 -.5281 -.0623 .1814 .019 .01618 .02209 .01872 -.00383 .00863 -.00724 |
|
O10 -.4761 -.8772 .4114 .0188 .02189 .02350 .01090 -.00338 .00305 -.00260 |
|
O11 -.8697 -.1261 .5881 .0185 .01970 .02625 .00962 .00291 -.00334 -.00043 |
|
O12 -.4748 -.9487 .5548 .0117 .00870 .01535 .01109 -.00201 -.00143 -.00671 |
|
O13 -.9622 -.1371 .4319 .0131 .00813 .01807 .01303 -.00070 -.00434 -.00081 |
|
O14 -.0383 -.1663 .2714 .0171 .00765 .02917 .01443 -.00013 -.00299 -.00465 |
|
O15 -.1928 -.0415 .4580 .0159 .01142 .02571 .01049 -.00003 -.00061 -.00420 |
|
O16 -.8059 -.8791 .4093 .024 .03235 .03115 .00876 -.00227 .00018 -.00058 |
|
O17 -.8047 -.8231 .7838 .0170 .01256 .02647 .01183 -.00295 -.00099 -.00272 |
|
O18 -.0271 -.0316 -.1904 .0181 .02126 .02281 .01012 -.00317 -.00036 .00100 |
|
O19 -.0836 -.1496 .0803 .019 .01024 .02477 .02207 -.00578 .00107 .01021 |
|
O20 -.5720 -.8664 .5649 .0152 .01100 .02103 .01350 .00112 .00526 .00059 |
|
O21 -.7269 -.8702 .5741 .018 .00571 .02851 .02017 -.00132 -.00544 -.00086 |
|
O22 -.6470 -.8416 .7317 .0176 .01242 .02760 .01267 .00252 .00126 -.01324 |
|
O23 -.6156 -.1305 .0751 .018 .00658 .02719 .01966 -.00023 -.00568 -.00336 |
|
O24 -.6827 -3/4 .8214 .019 .01390 .02060 .02308 .00000 .00002 .00000 |
|
O25 -.0793 -1/4 .1583 .019 .01442 .02221 .01969 .00000 -.00048 .00000 |
|
O26 -.3916 -.8848 .2515 .125 .24417 .02640 .10593 -.03166 .15269 -.01455 |
|
O27 -.2215 -.8860 .2539 .112 .19782 .04023 .09811 .02172 -.12016 -.00622 |
|
O28 -.055 -.8849 .249 .165 .31476 .00988 .17173 .00314 .22521 .00312 |
|
O29 -.6929 -.8436 -.0759 .020 .01580 .03148 .01224 .00944 -.00017 .00542 |
|
Ca -.5572 .25 .734 .149 .05071 .06410 .33367 .00000 .11402 .00000 |
|
K -.443 .25 .424 .11 .11589 .06701 .14359 .00000 -.02436 .00000 |
|
Wat1 -.693 -1/4 .084 .15 .25037 .07566 .11216 .00000 -.00654 .00000 |
|
Wat2 -.3175 .25 .3200 .046 .06555 .07089 .00162 .00000 -.01035 .00000 |
|
Wat3 -.3061 -.685 .430 .13 .04868 .22396 .11204 -.00098 .00012 -.06639 |
|
Wat4 -.612 .25 .571 .13 .22030 .03561 .13644 .00000 .09126 .00000 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Gunter M E, Dyar M D, Twamley B, Foit F F, Cornelius S |
|
American Mineralogist 88 (2003) 1970-1978 |
|
Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and |
|
asbestiform amphiboles from Libby, Montana, U.S.A. |
|
_database_code_amcsd 0003186 |
|
9.8787 18.024 5.2875 90 104.377 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT(1) .2791 .0848 .2960 .995 .011 .015 .011 .008 .000 .005 -.001 |
|
AlT(1) .2791 .0848 .2960 .005 .011 .015 .011 .008 .000 .005 -.001 |
|
SiT(2) .2872 .1714 .8031 .995 .011 .015 .012 .007 -.001 .004 .000 |
|
AlT(2) .2872 .1714 .8031 .005 .011 .015 .012 .007 -.001 .004 .000 |
|
MgM(1) 0 .0886 .5 .99 .009 .013 .009 .005 0 .003 0 |
|
AlM(1) 0 .0886 .5 .01 .009 .013 .009 .005 0 .003 0 |
|
MgM(2) 0 .1796 0 .82 .010 .012 .011 .007 0 .004 0 |
|
FeM(2) 0 .1796 0 .18 .010 .012 .011 .007 0 .004 0 |
|
MgM(3) 0 0 0 .84 .020 .026 .020 .016 0 .007 0 |
|
FeM(3) 0 0 0 .16 .020 .026 .020 .016 0 .007 0 |
|
MnM(4) 0 .2772 .5 .02 .018 .024 .016 .018 0 .012 0 |
|
CaM(4) 0 .2772 .5 .56 .018 .024 .016 .018 0 .012 0 |
|
NaM(4) 0 .2772 .5 .42 .018 .024 .016 .018 0 .012 0 |
|
NaA 0 .5 0 .28 .105 .127 .058 .188 0 .147 0 |
|
KA 0 .5 0 .20 .105 .127 .058 .188 0 .147 0 |
|
O(1) .1113 .0865 .2166 .013 .017 .013 .008 -.001 .004 -.001 |
|
O(2) .1186 .1702 .7269 .014 .017 .015 .011 -.001 .005 -.001 |
|
O(3) .1081 0 .7138 .014 .018 .016 .010 0 .006 0 |
|
O(4) .3634 .2487 .7956 .015 .020 .015 .009 -.004 .005 -.001 |
|
O(5) .3459 .1315 .0922 .015 .018 .018 .010 .000 .005 .004 |
|
O(6) .3419 .1182 .5877 .014 .017 .015 .011 -.001 .004 -.002 |
|
O(7) .3364 0 .2935 .016 .013 .016 .016 0 .004 0 |
|
H .2148 0 .7750 .030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Merrillite |
| |
Hughes J M, Jolliff B L, Gunter M E |
|
American Mineralogist 91 (2006) 1547-1552 |
|
The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 |
|
lunar mission: The first structure of merrillite from the Moon |
|
_database_code_amcsd 0004238 |
|
10.2909 10.2909 36.8746 90 90 120 R3c |
|
atom x y z occ Uiso |
|
Na 0 0 .8137 .23 .07 |
|
Ca1 .2763 .1398 .67489 .0247 |
|
Ca2 .2745 .1376 .56760 .0195 |
|
Ca3 .3805 .1887 .76925 .0251 |
|
Mg 0 0 0 .80 .0144 |
|
Fe 0 0 0 .20 .0144 |
|
P1 0 0 .73247 .93 .0193 |
|
P2 .3151 .1390 .86556 .88 .011 |
|
P3 .3429 .1539 .96904 .89 .016 |
|
O1 0 0 .6905 .027 |
|
O2 -.0075 .1375 .7450 .032 |
|
O3 .2713 .0915 .8262 .031 |
|
O4 .247 .233 .8792 .029 |
|
O5 .2717 -.001 .8881 .021 |
|
O6 .4887 .245 .8694 .029 |
|
O7 .3776 .189 .0092 .028 |
|
O8 .3993 .0509 .9564 .028 |
|
O9 .4141 .3040 .9491 .026 |
|
O10 .1723 .084 .9622 .026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fantappieite |
| |
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L, |
|
Gunter M E, Sebastiani M |
| |
American Mineralogist 95 (2010) 472-480 |
|
Fantappieite, a new mineral of the cancrinite-sodalite group |
|
with a 33-layer stacking sequence: Occurrence and crystal structure |
|
Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy |
|
_database_code_amcsd 0005034 |
|
12.8742 12.8742 87.215 90 90 120 P-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1A .1579 .3008 .0127 .5 .047 |
|
Na1B .1935 .3875 .0172 .27 .047 |
|
Ca1B .1935 .3875 .0172 .23 .047 |
|
Na2 2/3 1/3 .0207 .41 .016 |
|
Na3A 0 0 .038 .69 .012 |
|
Ca3A 0 0 .038 .13 .012 |
|
Ca3B 0 0 .0565 .19 .012 |
|
Na4A .5038 -.0010 .0433 .53 .017 |
|
Na4B .5337 .0671 .0486 .34 .017 |
|
Na5A .3722 .1848 .0727 .5 .067 |
|
Ca5B .2909 .1454 .0781 .5 .067 |
|
Na6 2/3 1/3 .0976 .38 .016 |
|
Na7 2/3 1/3 .1643 .39 .016 |
|
Na8 2/3 1/3 .2355 .86 .036 |
|
Na9A .449 .543 .2528 .16 .027 |
|
Na9B .491 .509 .2552 .72 .027 |
|
Na10 1/3 2/3 .2777 .45 .052 |
|
Ca11 1/3 2/3 .2988 .53 .052 |
|
Na12 .3894 .1987 .2861 .41 .002 |
|
Na13 .3234 .1567 .2899 .34 .002 |
|
Na14 2/3 1/3 .3071 .49 .051 |
|
Na15 2/3 1/3 .3265 .49 .051 |
|
Na16 .1322 .2691 .3163 .10 .002 |
|
K16 .1322 .2691 .3163 .40 .002 |
|
Na17 .1718 .342 .3163 .5 .002 |
|
Na18 0 0 .3442 .87 .036 |
|
K18 0 0 .3442 .13 .036 |
|
Na19 .508 .0253 .3513 .82 .042 |
|
Na20 1/3 2/3 .3641 .65 .037 |
|
Na21 .2804 .1422 .3797 .91 .063 |
|
Na22 .162 .3226 .4071 .31 .061 |
|
Ca22 .162 .3226 .4071 .29 .061 |
|
Na23 .2067 .3952 .4136 .40 .061 |
|
Na24 0 0 .4325 .82 .093 |
|
Na25 .5 .5 .5 .95 .036 |
|
Na26 0 0 .5 .75 .028 |
|
Ca1 1/3 2/3 .0692 .059 .054 .054 .067 .027 0 0 |
|
Ca2 .1841 .3559 .1052 .66 .048 .047 .046 .047 .020 -.004 .001 |
|
Na2 .1841 .3559 .1052 .34 .048 .047 .046 .047 .020 -.004 .001 |
|
Ca3 0 0 .1292 .025 .024 .024 .026 .012 0 0 |
|
Ca4 .165 .3359 .1659 .38 .029 .026 .026 .034 .011 .001 .000 |
|
Na4 .165 .3359 .1659 .62 .029 .026 .026 .034 .011 .001 .000 |
|
Ca5 1/3 2/3 .2047 .003 .030 .030 .032 .015 0 0 |
|
Ca6 .16 .3086 .2256 .16 .034 .038 .038 .032 .023 -.003 -.002 |
|
Na6 .16 .3086 .2256 .84 .034 .038 .038 .032 .023 -.003 -.002 |
|
Ca7 0 0 .2637 .049 .044 .044 .057 .022 0 0 |
|
Ca8 1/3 2/3 .3867 .94 .053 .046 .046 .067 .023 0 0 |
|
Ca9 2/3 1/3 .4032 .024 .024 .024 .025 .012 0 0 |
|
Ca10 .5132 .0217 .44 .05 .022 .022 .025 .021 .012 .005 -.001 |
|
Na10 .5132 .0217 .44 .95 .022 .022 .025 .021 .012 .005 -.001 |
|
Ca11 1/3 2/3 .4607 .023 .025 .025 .019 .012 0 0 |
|
K1 .4474 .55 .1377 .5 .033 .039 .037 .027 .023 -.005 -.001 |
|
Na1 .4474 .55 .1377 .5 .033 .039 .037 .027 .023 -.005 -.001 |
|
K2 .2322 .1168 .1959 .54 .011 .010 .015 .007 .05 -.002 -.001 |
|
Na2 .2322 .1168 .1959 .46 .011 .010 .015 .007 .05 -.002 -.001 |
|
K3 .4373 .2182 .4705 .98 .022 .023 .023 .020 .010 -.003 .000 |
|
Na3 .4373 .2182 .4705 .02 .022 .023 .023 .020 .010 -.003 .000 |
|
AlT1 .4213 .3291 .0139 .007 .007 .007 .007 .003 .000 .000 |
|
AlT2 .2503 .0027 .0445 .021 .021 .021 .021 .010 .000 .000 |
|
AlT3 1/3 .4133 .0733 .011 .011 .010 .011 .005 .000 .000 |
|
AlT4 .4142 .0861 .1055 .009 .010 .010 .009 .005 .000 .001 |
|
AlT5 .2588 .2546 .1349 .024 .024 .024 .024 .012 .000 .001 |
|
AlT6 .415 .0774 .1664 .005 .005 .006 .004 .002 -.001 .000 |
|
AlT7 .3337 .4124 .1973 .025 .025 .025 .026 .013 -.001 .000 |
|
AlT8 .4094 .0825 .2271 .023 .022 .023 .023 .011 .000 .000 |
|
AlT9 .2529 .2509 .2584 .008 .009 .008 .008 .004 .000 .000 |
|
AlT10 .0867 .4194 .2897 .024 .023 .024 .023 .011 .001 .001 |
|
AlT11 .4205 .3328 .318 .039 .039 .039 .038 .019 .000 .000 |
|
AlT12 -.0016 .2512 .3489 .002 .021 .020 .021 .011 .000 .000 |
|
AlT13 .3288 .4134 .3781 .048 .048 .048 .048 .024 .000 .000 |
|
AlT14 .4167 .0828 .4079 .019 .019 .019 .019 .009 .000 .000 |
|
AlT15 .2536 .2556 .4382 .022 .022 .021 .021 .010 .000 .001 |
|
AlT16 .078 .4085 .4686 .014 .016 .013 .011 .006 .000 .000 |
|
SiT17 .4214 .0875 .0148 .002 .020 .019 .020 .010 .000 -.001 |
|
SiT18 .2509 .2502 .0449 .024 .024 .024 .024 .012 .000 .000 |
|
SiT19 .0785 .4103 .0739 .016 .016 .016 .016 .009 .000 -.001 |
|
SiT20 .4163 .3352 .1048 .033 .034 .035 .030 .019 -.002 -.003 |
|
SiT21 .2596 .0097 .1352 .025 .026 .025 .025 .013 .000 .000 |
|
SiT22 .4161 .3410 .1663 .013 .013 .013 .012 .007 .000 .000 |
|
SiT23 .5839 .6599 .1981 .002 .019 .020 .020 .010 .000 .001 |
|
SiT24 .4128 .3303 .2273 .018 .018 .019 .019 .009 .001 .000 |
|
SiT25 -.0020 .2499 .2583 .027 .027 .027 .027 .014 .000 -.001 |
|
SiT26 .3353 .4221 .2887 .031 .031 .032 .031 .015 -.001 .002 |
|
SiT27 .4162 .086 .3189 .051 .050 .051 .050 .025 .000 .000 |
|
SiT28 .2485 .2477 .3478 .019 .019 .019 .019 .010 -.001 .000 |
|
SiT29 .0803 .4151 .3785 .058 .058 .058 .058 .029 .000 .000 |
|
SiT30 .6691 .0777 .4073 .013 .012 .013 .013 .006 .000 .001 |
|
SiT31 .2571 .0094 .4389 .035 .035 .035 .035 .018 .000 .000 |
|
SiT32 .3316 .4118 .4681 .018 .019 .018 .018 .009 -.001 .001 |
|
SiT33 .2545 .2571 .4999 .031 .028 .031 .034 .015 .003 .001 |
|
O1 .0115 .3484 .0005 .083 .083 .083 .083 .041 .000 .000 |
|
O2 .4478 .227 .0127 .039 .039 .039 .039 .020 -.001 .000 |
|
O3 .5522 .1052 .0176 .027 .027 .027 .027 .013 .000 .000 |
|
O4 .3383 .0064 .0303 .039 .039 .039 .039 .019 .000 .000 |
|
O5 .3295 .3069 .0293 .072 .072 .072 .072 .036 .000 .000 |
|
O6 .1261 .2473 .0425 .047 .047 .047 .047 .024 .000 .000 |
|
O7 .2176 .1065 .046 .014 .014 .014 .015 .007 .000 .000 |
|
O8 .3278 .0054 .0604 .031 .031 .031 .031 .015 .001 -.001 |
|
O9 .3246 .321 .0607 .023 .023 .023 .023 .012 .000 .000 |
|
O10 .4599 .5524 .0701 .034 .034 .035 .034 .017 .000 .000 |
|
O11 .2174 .4346 .0732 .058 .058 .058 .058 .029 .000 .000 |
|
O12 .0146 .3526 .0898 .028 .028 .027 .028 .014 .000 -.001 |
|
O13 .3396 .3536 .0901 .062 .062 .062 .062 .031 .000 .000 |
|
O14 .4286 .2096 .1022 .023 .023 .023 .023 .011 .000 .000 |
|
O15 .5682 .1257 .1057 .045 .045 .045 .045 .023 .000 .000 |
|
O16 .3379 .3447 .1197 .046 .046 .046 .046 .023 .000 .000 |
|
O17 .0027 .3406 .1215 .042 .042 .042 .042 .021 .000 .000 |
|
O18 .1205 .242 .1327 .054 .054 .054 .054 .027 .000 .000 |
|
O19 .2036 .0985 .1329 .049 .049 .049 .049 .025 .000 .000 |
|
O20 .323 .3149 .1504 .035 .035 .035 .035 .017 .000 -.001 |
|
O21 .3381 .023 .1514 .018 .018 .018 .019 .009 .000 .000 |
|
O22 .5535 .4539 .1611 .043 .043 .043 .043 .022 .000 .000 |
|
O23 .4349 .2201 .1685 .043 .043 .044 .043 .022 .000 .000 |
|
O24 .0149 .3526 .1808 .026 .026 .026 .026 .013 .000 -.001 |
|
O25 .328 .3435 .1815 .028 .028 .028 .028 .014 .000 .000 |
|
O26 .4456 .5661 .1983 .021 .021 .021 .021 .010 .000 .000 |
|
O27 .2053 .4015 .1993 .076 .076 .076 .076 .038 .000 .000 |
|
O28 .3507 .3311 .211 .009 .009 .009 .008 .004 .000 .000 |
|
O29 .3571 .0126 .2122 .042 .042 .042 .042 .021 .000 .000 |
|
O30 .4536 .2247 .2279 .055 .055 .055 .055 .028 .000 .000 |
|
O31 .5401 .4628 .2318 .046 .046 .046 .046 .023 .000 .000 |
|
O32 .3232 .0119 .2413 .035 .035 .035 .035 .018 .001 .000 |
|
O33 .3255 .3203 .2423 .003 .030 .030 .029 .015 .001 -.001 |
|
O34 .1183 .2274 .2579 .003 .031 .030 .030 .015 .000 .000 |
|
O35 .2437 .1174 .2626 .023 .023 .023 .022 .011 .000 .000 |
|
O36 .022 .3569 .273 .014 .014 .014 .014 .007 .000 .000 |
|
O37 .3242 .3474 .2737 .066 .066 .066 .066 .033 .001 .000 |
|
O38 .1302 .5614 .2864 .038 .038 .038 .038 .019 .000 .000 |
|
O39 .2053 .4164 .2912 .017 .017 .017 .017 .009 .000 .000 |
|
O40 .352 .0166 .3024 .013 .013 .013 .013 .007 .000 -.001 |
|
O41 .3539 .3496 .3013 .082 .082 .082 .082 .041 .000 .000 |
|
O42 .4646 .2303 .3192 .044 .044 .044 .044 .022 .000 .000 |
|
O43 .5448 .0864 .3229 .066 .065 .066 .066 .033 .000 .000 |
|
O44 .344 .0327 .334 .067 .068 .067 .067 .034 .000 .000 |
|
O45 .3444 .3192 .3345 .025 .025 .025 .025 .013 .000 .000 |
|
O46 .1184 .2258 .3435 .063 .063 .063 .063 .031 .000 .000 |
|
O47 .2242 .1094 .3518 .018 .018 .018 .018 .009 .000 .000 |
|
O48 .305 .3297 .3637 .063 .063 .063 .063 .032 .000 .000 |
|
O49 .0225 .3332 .3647 .028 .028 .028 .028 .014 .000 .000 |
|
O50 .0721 .5316 .3749 .019 .019 .020 .020 .010 .000 .000 |
|
O51 .2246 .4412 .3802 .047 .047 .047 .047 .024 .001 .000 |
|
O52 .0099 .3431 .3944 .001 .010 .010 .010 .005 .000 -.001 |
|
O53 .6509 -.0097 .3942 .036 .035 .036 .035 .018 .000 .000 |
|
O54 .4284 .219 .4032 .057 .057 .057 .057 .028 .000 .000 |
|
O55 .5613 .1151 .4086 .091 .091 .091 .091 .046 .000 .000 |
|
O56 .3386 .0291 .4239 .036 .036 .036 .036 .018 .000 .000 |
|
O57 .676 .0357 .4241 .012 .012 .012 .013 .006 .000 .000 |
|
O58 .1307 .2545 .4351 .055 .055 .055 .055 .028 .000 .000 |
|
O59 .346 .0014 .4534 .015 .015 .015 .015 .008 -.001 .000 |
|
O60 .2138 .1028 .4408 .034 .033 .033 .034 .017 .000 .000 |
|
O61 .3262 .3307 .4534 .043 .043 .043 .043 .021 .000 .000 |
|
O62 .2188 .4403 .4643 .064 .064 .064 .064 .032 .000 .000 |
|
O63 .4639 .531 .4667 .037 .037 .037 .037 .018 .000 .000 |
|
O64 .3279 .347 .4862 .023 .023 .023 .023 .011 .000 .000 |
|
O65 .2436 .1232 .4984 .024 .024 .024 .024 .012 .000 .000 |
|
O66 .3566 .3316 .5139 .013 .013 .013 .013 .007 .000 .000 |
|
S1 0 0 0 .042 .042 .042 .043 .021 0 0 |
|
S2 1/3 2/3 .029 .032 .032 .032 .032 .016 0 0 |
|
S3 2/3 1/3 .0597 .077 .077 .077 .077 .038 0 0 |
|
S4 0 0 .0897 .136 |
|
S5 1/3 2/3 .1125 .016 |
|
S6 1/3 2/3 .1631 .041 .040 .040 .042 .020 0 0 |
|
S7 0 0 .1707 .018 .018 .018 .018 .009 0 0 |
|
S8 0 0 .2226 .045 .045 .045 .044 .023 0 0 |
|
S9 0 0 .2994 .039 .039 .039 .039 .020 0 0 |
|
S10 2/3 1/3 .365 .005 |
|
S11 0 0 .3949 .004 |
|
S12 .356 .6929 .428 .009 |
|
S13 2/3 1/3 .4451 .002 .020 .020 .019 .010 0 0 |
|
S14 2/3 1/3 .4965 .024 |
|
Cl1 2/3 1/3 .2695 .035 |
|
Wat1 2/3 1/3 .1341 .002 |
|
Wat2 1/3 2/3 .2428 .002 |
|
Wat3 .362 .664 .3377 .012 |
|
O5SA 1/3 2/3 .0952 .097 |
|
O5SB .2726 .5365 .1172 .025 |
|
O6SA 1/3 2/3 .1804 .006 |
|
O6SB .26 .5371 .1587 .025 |
|
O7SA 0 0 .1533 .025 |
|
O7SB .0643 .1264 .177 .094 |
|
O8SA 0 0 .2399 .006 |
|
O8SB .0678 .1211 .2147 .049 |
|
O12B .1896 .5856 .435 .045 |
|
O13A 2/3 1/3 .4277 .048 |
|
O13B .5999 .2042 .4502 .028 |
|
O14A 2/3 1/3 .5138 .031 |
|
O14B .6063 .2075 .4899 .003 |
|
|
| 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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Dickthomssenite |
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Hughes J M, Cureton F E, Marty J, Gault R A, Gunter M E, |
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Campana C F, Rakovan J F, Sommer A J, Brueseke M E |
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The Canadian Mineralogist 39 (2001) 1691-1700 |
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Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah: |
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Descriptive mineralogy and arrangement of atoms |
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Locality: Firefly-Pigmay mine, Utah, USA |
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_database_code_amcsd 0005758 |
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38.954 7.2010 16.3465 90 97.602 90 C2/c |
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atom x y z Uiso |
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V1 .1506 .1163 .2101 .008 |
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V2 .0991 .3673 .2912 .009 |
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V3 .1518 .6170 .2117 .009 |
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V4 .0987 .8661 .2904 .009 |
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Mg1 .1255 .6238 .0018 .019 |
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Mg2 0 1/2 0 .021 |
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Mg3 3/4 3/4 1/2 .022 |
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O1 .1132 .1176 .2833 .020 |
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O2 .1364 .3688 .2184 .019 |
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O3 .1157 .6180 .2906 .016 |
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O4 .1346 .8663 .2117 .016 |
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O5 .1895 .1120 .2605 .023 |
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O6 .1547 .1253 .1095 .018 |
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O7 .0607 .3744 .2388 .022 |
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O8 .0930 .6350 -.1086 .015 |
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O9 .1896 .6249 .2653 .023 |
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O10 .1581 .6154 .1119 .015 |
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O11 .0604 .8582 .2377 .024 |
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O12 .0937 .8754 .3903 .022 |
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Ow13 .1435 .8942 -.0206 .026 |
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H13A .1250 .9576 -.0237 .031 |
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H13B .1553 .9412 .0218 .031 |
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Ow14 .0900 .7474 .0675 .036 |
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H14A .0964 .7313 .1188 .044 |
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H14B .0847 .8543 .0477 .044 |
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Ow15 .1062 .3563 .0191 .025 |
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H15A .1113 .2898 -.0205 .029 |
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H15B .0954 .2869 .0492 .029 |
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Ow16 .1607 .4948 -.0646 .038 |
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H16A .1621 .5505 -.1098 .045 |
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H16B .1807 .4920 -.0367 .045 |
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Ow17 -.0264 .5035 .0997 .025 |
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H17A -.0332 .6136 .1072 .030 |
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H17B -.0131 .4663 .1420 .030 |
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Ow18 .0416 .3922 .0715 .040 |
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H18A .0352 .2958 .0953 .048 |
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H18B .0572 .3634 .0421 .048 |
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Ow19 -.0188 .2306 -.0267 .030 |
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H19A -.0056 .1600 .0052 .036 |
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H19B -.0332 .1581 -.0542 .036 |
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Ow20 .7762 .7523 .4015 .028 |
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H20A .7723 .6677 .3652 .034 |
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H20B .7803 .8633 .3878 .034 |
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Ow21 .7918 .8566 .5734 .039 |
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H21A .7966 .9656 .5586 .046 |
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H21B .8097 .7911 .5697 .046 |
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Ow22 .7680 .4802 .5271 .030 |
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H22A .7561 .4064 .4941 .036 |
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H22B .7829 .4102 .5546 .036 |
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Ow23 .7503 .4161 .2475 .024 |
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H23A .7684 .4801 .2440 .029 |
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H23B .7425 .3657 .2018 .029 |
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Ow24 .7748 .2516 .3974 .030 |
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H24A .7614 .1811 .4204 .036 |
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H24B .7956 .2169 .3965 .036 |
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Ow25 .9755 .0019 .6015 .028 |
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H25A .9547 .0393 .6005 .034 |
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H25B .9887 .0726 .5782 .034 |
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Ow26 0 .3382 3/4 .026 |
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H26 .9814 .3070 .7682 .031 |
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Ow27 0 .8307 3/4 .030 |
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H27 .9926 .8833 .7045 .036 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Pertlikite |
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Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C |
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The Canadian Mineralogist 46 (2008) 661-669 |
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Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran |
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Locality: Madeni Zakh, Iran |
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_database_code_amcsd 0006190 |
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19.2080 19.2080 27.2158 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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S1 .961717 .013192 .881669 .01256 |
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S2 .855855 .093187 .012190 .01247 |
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S3 .106330 .130649 .974391 .01271 |
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Fe1 0 0 0 .01297 |
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Fe2 .794208 0 3/4 .719 .01341 |
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Mg2 .794208 0 3/4 .281 .01341 |
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Mg3 .852518 .147397 .897173 .742 .01346 |
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Fe3 .852518 .147395 .897173 .258 .01346 |
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Al 0 .25 .125 .01185 |
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K .00007 0 3/4 .03164 |
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O1 .94004 -.05104 .85726 .0293 |
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O2 .00530 .05430 .84827 .0234 |
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O3 .89868 .05176 .89558 .0230 |
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O4 .00262 -.00378 .92639 .0193 |
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O5 .85269 .13891 .05494 .0290 |
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O6 .82315 .12712 .96982 .0229 |
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O7 .81894 .02821 .02480 .0233 |
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O8 .92949 .07699 .00033 .0190 |
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O9 .08850 .19804 .99582 .0298 |
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O10 .08053 .12894 .92374 .0239 |
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O11 .18249 .12144 .97558 .0245 |
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O12 .07354 .07388 .00326 .0192 |
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O13 .94033 .19736 .92101 .0247 |
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H13A .9744 .1777 .9208 .065 |
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H13B .9316 .2257 .9413 .073 |
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O14 .79926 .04325 .68084 .0252 |
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H14A .8389 .0467 .6716 .079 |
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H14B .7683 .0688 .6744 .106 |
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O15 .75947 .10238 .87849 .0248 |
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H15A .7275 .1120 .8966 .064 |
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H15B .752 .096 .8505 .103 |
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Wat1 -.0137 .1927 .17896 .225 .0198 |
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Wat2 -.0190 .1585 .10342 .222 .0210 |
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Wat3 -.0759 .2820 .08946 .236 .0227 |
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Wat4 .0579 .2639 .17991 .221 .0216 |
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Wat5 .0898 .2685 .10361 .233 .0213 |
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Wat6 -.0332 .3269 .08894 .228 .0218 |
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Wat7 0 .25 .1946 .129 .023 |
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Wat8 -.0697 .3197 .125 .134 .024 |
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Wat9 .0694 .3194 .125 .133 .023 |
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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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Lasalite |
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Hughes J M, Wise W S, Gunter M E, Morton J P, Rakovan J |
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The Canadian Mineralogist 46 (2008) 1365-1372 |
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Lasalite, Na2Mg2[V10O28]*20H2O, a new decavanadate mineral species from the |
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Vanadium Queen mine, La Sal District, Utah: Description, atomic arrangement, |
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and relationship to the pascoite group of minerals |
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Locality: Vanadium Queen mine, La Sal District, Utah |
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_database_code_amcsd 0006198 |
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23.9019 10.9993 17.0504 90 118.284 90 C2/c |
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atom x y z Uiso |
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Na .19432 -.17951 .03761 .0497 |
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Mg .11242 .59615 .59125 .01950 |
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V1 .011823 .08649 .852530 .01374 |
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V2 -.072825 -.11481 .714987 .01598 |
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V3 .071806 .29236 .783156 .01658 |
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V4 .132628 .08738 .719361 .01731 |
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V5 .155643 .09083 .911954 .01845 |
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O1 -.04289 .08873 .88829 .0184 |
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O2 .08380 .08685 .94487 .0185 |
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O3 -.00967 -.08342 .67228 .0151 |
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O4 .00969 .25823 .82766 .0153 |
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O5 -.06272 .08728 .72167 .0145 |
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O6 -.07332 -.26098 .71410 .0258 |
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O7 -.13774 -.07787 .60724 .0196 |
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O8 -.11641 -.07713 .77623 .0188 |
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O9 .13689 .25559 .89341 .0199 |
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O10 .11612 .25431 .72347 .0187 |
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O11 .17222 .08862 .66527 .0258 |
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O12 .19171 .08930 .83800 .0203 |
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O13 .07163 .43782 .78232 .0271 |
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O14 .21463 .08846 .01063 .0295 |
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O15 .11247 .40968 .59659 .0280 |
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O16 .04133 .40772 .96382 .0277 |
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O17 .17730 .59206 .54119 .0267 |
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O18 .17826 .59226 .72130 .0342 |
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O19 .03719 .60329 .62597 .0299 |
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O20 .11564 .21806 .09537 .0359 |
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O21 .26202 -.29234 .16608 .0428 |
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O22 -.05898 -.21698 .52068 .0446 |
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O23 .18925 -.3592 .95033 .0604 |
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O24 .23209 .62491 .29829 .0388 |
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H15A .1126 .373 .634 .050 |
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H15B .0996 .372 .558 .050 |
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H16A .0318 .363 .929 .050 |
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H16B .0213 .461 .941 .050 |
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H17A .2095 .594 .572 .050 |
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H17B .1717 .633 .501 .050 |
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H18A .1941 .643 .750 .050 |
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H18B .1952 .536 .744 .050 |
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H19A .0456 .600 .675 .050 |
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H19B .0188 .657 .607 .050 |
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H20A .1145 .185 .131 .050 |
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H20B .1039 .180 .054 .050 |
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H21A .2853 -.336 .168 .050 |
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H21B .2538 -.318 .204 .050 |
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H22A -.0481 -.187 .490 .050 |
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H22B -.0469 -.181 .562 .050 |
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H23A .1861 -.429 .968 .050 |
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H23B .1629 -.357 .912 .050 |
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H24A .2586 .627 .351 .050 |
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H24B .2067 .661 .295 .050 |
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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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Rakovanite |
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Kampf A R, Hughes J M, Marty J, Gunter M E, Nash B |
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The Canadian Mineralogist 49 (2011) 595-604 |
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Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the |
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pascoite family with a protonated decavanadate polyanion |
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Locality: Synthetic |
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_database_code_amcsd 0018383 |
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12.0248 17.121 18.140 90 106.242 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V1 .06629 -.12903 .10294 .0195 .0198 .0252 .0118 -.0010 .0014 -.0001 |
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V2 -.01357 -.12711 .24943 .0194 .0165 .0234 .0175 -.0011 .0035 .0005 |
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V3 .13092 -.21570 .39482 .0212 .0249 .0206 .0184 -.0028 .0065 .0031 |
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V4 .12453 -.03548 .39361 .0206 .0236 .0211 .0175 .0011 .0063 -.0009 |
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V5 .28535 -.03402 .10014 .0222 .0263 .0237 .0169 -.0002 .0065 .0047 |
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V6 .29434 -.21384 .10274 .0226 .0282 .0214 .0189 .0011 .0079 -.0026 |
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V7 .43406 -.12108 .24686 .0182 .0187 .0206 .0151 .0005 .0047 .0001 |
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V8 .35254 -.12222 .39303 .0181 .0187 .0199 .0144 -.0001 .0029 .0004 |
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V9 .21232 -.22040 .24850 .0175 .0205 .0154 .0154 -.0004 .0029 -.0010 |
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V10 .20634 -.02923 .24729 .0170 .0196 .0133 .0176 .0001 .0043 .0001 |
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Na1 .28198 .12442 -.06503 .0394 .0355 .0560 .0272 .0021 .0095 .0038 |
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Na2 -.19310 .13984 .16880 .0316 .0322 .0291 .0343 .0057 .0107 -.0028 |
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Na3 -.30959 .10623 .32547 .0325 .0325 .0328 .0318 .0038 .0083 -.0036 |
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O1 -.0685 -.1316 .05411 .0246 .020 .033 .018 -.001 -.0005 .001 |
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O2 -.1445 -.1279 .19691 .0238 .0161 .027 .024 .0005 -.0009 -.001 |
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O3 .1063 -.2848 .4479 .0295 .034 .026 .027 -.003 .007 .006 |
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O4 .0949 .0321 .4462 .0271 .028 .027 .028 .0034 .011 -.012 |
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O5 .3102 .0344 .0477 .0315 .038 .034 .024 -.003 .012 .009 |
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O6 .3261 -.2819 .0520 .0341 .042 .034 .029 .007 .015 -.007 |
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O7 .5663 -.1197 .29885 .0238 .016 .031 .023 -.001 .0021 -.000 |
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O8 .4860 -.1193 .44337 .0236 .0201 .0293 .0182 -.0022 .0004 -.0033 |
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O9 .2438 -.1249 .18500 .0160 .0197 .0160 .0110 .0027 .0023 .003 |
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O10 .1733 -.1244 .31152 .0166 .017 .017 .016 .0034 .0039 -.0017 |
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O11 .0566 -.1995 .1887 .0183 .020 .018 .017 -.0040 .0039 -.0011 |
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O12 .0531 -.0549 .1874 .0174 .015 .025 .011 -.0018 .0007 .0029 |
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O13 -.0107 -.2059 .3193 .022 .027 .021 .017 .004 .004 .001 |
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O14 -.0162 -.0489 .3178 .0213 .017 .023 .024 .001 .0063 -.005 |
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O15 .1005 -.1256 .44121 .0215 .023 .025 .017 -.001 .006 -.003 |
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O16 .2911 -.2009 .4359 .0192 .025 .018 .013 -.0005 .0022 .0035 |
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O17 .1775 -.2786 .3143 .0209 .020 .020 .021 -.003 .004 .000 |
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O18 .2864 -.0440 .4350 .020 .018 .025 .019 -.003 .007 .000 |
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O19 .1678 .0296 .3111 .0199 .022 .014 .023 -.0008 .004 -.001 |
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O20 .3662 -.1947 .3095 .0177 .021 .015 .015 .0005 .0027 -.0042 |
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O21 .3611 -.0505 .3077 .0160 .019 .015 .014 -.0013 .0031 -.0044 |
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O22 .4274 -.0438 .1780 .0199 .017 .025 .018 .0013 .0052 .0008 |
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O23 .4333 -.2005 .1802 .0217 .024 .019 .023 .003 .0076 -.000 |
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O24 .3174 -.1239 .05489 .0238 .027 .029 .017 .001 .008 -.001 |
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O25 .2403 .0302 .1819 .0178 .018 .018 .018 -.0018 .0055 .001 |
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O26 .1321 -.2054 .0609 .0238 .027 .028 .014 -.0022 .0039 -.0042 |
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O27 .1274 -.0487 .0606 .0212 .024 .024 .015 -.0029 .0028 .0020 |
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O28 .2501 -.2792 .1851 .0216 .026 .018 .019 -.000 .0027 -.003 |
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O29 .3867 .0315 -.1112 .044 .040 .042 .058 .002 .026 .012 |
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O30 .3741 .2151 -.1225 .038 .036 .043 .039 .002 .016 -.004 |
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O31 -.1394 .2460 .0980 .040 .046 .039 .031 -.014 .004 -.003 |
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O32 -.1075 .0522 .1008 .0414 .058 .042 .022 .026 .008 .004 |
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O33 -.3840 .1286 .0765 .0434 .041 .062 .030 .005 .014 .001 |
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O34 -.0071 .1488 .2551 .0491 .037 .028 .065 .002 -.014 -.008 |
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O35 -.2763 .2187 .2423 .044 .031 .049 .044 .018 -.003 -.018 |
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O36 -.2299 .0291 .2481 .038 .037 .042 .031 .007 .003 -.006 |
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O37 -.1203 .1231 .4046 .039 .033 .054 .029 .011 .007 -.003 |
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O38 -.5030 .1020 .2521 .047 .049 .026 .054 .010 -.005 -.012 |
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O39 -.3414 .0025 .4106 .0476 .063 .046 .031 -.027 .009 -.002 |
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O40 -.3779 .1955 .4015 .043 .059 .043 .021 .024 .002 -.002 |
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O41 .1760 .1302 .5923 .071 .061 .084 .079 .006 .035 .002 |
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O42 .0907 .1558 .1100 .0471 .053 .040 .043 .012 .006 .017 |
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O43 .0942 -.3993 .1080 .0518 .055 .040 .055 .000 .007 -.002 |
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H29A .382 -.0128 -.097 .03 |
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H29B .445 .046 -.123 .08 |
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H30A .427 .203 -.140 .06 |
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H30B .393 .2615 -.118 .04 |
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H31A -.078 .266 .118 .04 |
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H31B -.128 .253 .057 .03 |
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H32A -.115 .040 .0563 .008 |
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H32B -.075 .025 .121 .02 |
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H33A -.358 .141 .041 .08 |
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H33B -.433 .163 .066 .17 |
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H34A .047 .120 .273 .03 |
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H34B .020 .191 .265 .05 |
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H35A -.337 .242 .224 .02 |
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H35B -.243 .244 .280 .018 |
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H36A -.278 .002 .218 .06 |
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H36B -.168 .009 .270 .11 |
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H37A -.062 .105 .396 .04 |
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H37B -.101 .123 .452 .08 |
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H38A -.510 .065 .226 -.009 |
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H38B -.560 .129 .236 .07 |
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H39A -.387 -.033 .409 .024 |
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H39B -.327 .019 .454 .10 |
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H40A -.355 .186 .447 .08 |
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H40B -.413 .235 .382 .09 |
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H41A .213 .088 .596 .12 |
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H41B .118 .126 .608 .12 |
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H42A .136 .120 .131 .008 |
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H42B .088 .167 .0647 .11 |
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H43A .064 -.440 .087 .33 |
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H43B .149 -.371 .129 .19 |
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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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