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Titanite |
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Hollabaugh C L, Foit F F |
 |
American Mineralogist 69 (1984) 725-732 |
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The crystal structure of an Al-rich titanite from Grisons, Switzerland |
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_database_code_amcsd 0000942 |
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7.050 8.681 6.539 90 113.9 90 A2/a |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .25 .1672 0 .01026 .00103 .00318 0 -.00071 0 |
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Ti .5 0 .5 .00760 .00160 .00204 .00151 0.00063 -.00008 |
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Si .75 .1831 0 .00210 .00068 .00231 0 0.00084 0 |
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O1 .75 .0714 .5 .00262 .00137 .00592 0 0.00230 0 |
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O2 .9098 .0664 .1855 .00358 .00189 .00242 .00083 0.00000 0.00030 |
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O3 .3818 .2107 .3974 .00340 .00164 .00320 .00046 0.00154 0.00036 |
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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
|
| |
|
Titanite |
|
Hollabaugh C L, Foit F F |
|
American Mineralogist 69 (1984) 725-732 |
|
The crystal structure of an Al-rich titanite from Grisons, Switzerland |
|
_database_code_amcsd 0000943 |
|
7.050 8.681 6.539 90 113.9 90 P2_1/a |
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atom x y z Biso |
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Ca .2327 .9172 .7545 .44 |
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Ti .5149 .7541 .2493 .32 |
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Si .7562 .9327 .7570 .24 |
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O1 .7465 .8213 .2362 .38 |
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O2 .9209 .8231 .9376 .58 |
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O3 .3837 .9652 .1421 .52 |
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O4 .9010 .3109 .4345 .22 |
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O5 .3798 .4562 .6523 .35 |
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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
|
| |
|
Titanite |
|
Hollabaugh C L, Foit F F |
|
American Mineralogist 69 (1984) 725-732 |
|
The crystal structure of an Al-rich titanite from Grisons, Switzerland |
|
_database_code_amcsd 0000944 |
|
7.050 8.681 6.539 90 113.9 90 P2_1 |
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atom x y z Biso |
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Ca1 .5001 .9179 .7498 .55 |
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Ca2 .0253 .0835 .2442 .48 |
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Ti1 .7662 .7559 .2486 .42 |
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Ti2 .7356 .2491 .7506 .35 |
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Si1 .9971 .9305 .7583 .75 |
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Si2 .4912 .0653 .2462 -.01 |
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O1a .9889 .8162 .2459 .40 |
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O1b .5011 .1736 .7686 .31 |
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O2a .1671 .8214 .9456 .93 |
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O2b .3261 .1799 .0682 .18 |
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O3a .6327 .9608 .1389 -.06 |
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O3b .8748 .0421 .8595 1.13 |
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O4a .1547 .3046 .4304 .36 |
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O4b .3534 .6808 .5626 .14 |
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O5a .6278 .4544 .6533 .93 |
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O5b .8612 .5339 .3432 .16 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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