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Boralsilite |
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Peacor D R, Rouse R C, Grew E S |
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American Mineralogist 84 (1999) 1152-1161 |
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The crystal structure of boralsilite and its relation to a family of |
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boroaluminosilicates, sillimanite, and andalusite |
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_database_code_amcsd 0002272 |
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14.767 5.574 15.079 90 91.96 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .86873 0 .33837 .0058 .0038 .0065 0 .0004 0 |
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Al2 .81194 0 .15838 .0071 .0041 .0040 0 .0009 0 |
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Al3 .57170 0 .06951 .0059 .0048 .0088 0 .0030 0 |
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Al4 .67697 0 .34140 .0046 .0038 .0067 0 .0002 0 |
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Al5 .00396 .74670 .24322 .0062 .0033 .0068 0 -.0004 -.0001 |
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Al6 .25 .25 0 .0057 .0037 .0055 .0001 -.0005 -.0007 |
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Al7 .25 .25 .5 .0066 .0037 .0051 .0004 .0002 .0009 |
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Si .42541 0 .41917 .0059 .0039 .0063 0 .0008 0 |
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B1 .1018 0 .1009 .014 .003 .008 0 .006 0 |
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B2 .3774 0 .1192 .009 .008 .009 0 -.005 0 |
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B3 .1356 0 .3633 .009 .008 .004 0 .001 0 |
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O1 .7658 0 .2671 .0055 .0107 .0062 0 -.0008 0 |
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O2 .7965 0 .4340 .0077 .0046 .0078 0 .0016 0 |
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O3 .9244 0 .2214 .0038 .0042 .0075 0 -.0001 0 |
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O4 .9355 .7387 .3573 .0086 .0069 .0086 .0006 .0023 .0013 |
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O5 0 .5 .5 .0114 .0127 .0099 0 -.0032 0 |
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O6 .3234 0 .4584 .0072 .0047 .0089 0 .0006 0 |
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O7 .8208 .7151 .1063 .0077 .0059 .0080 .0001 -.0027 -.0009 |
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O8 .6973 0 .0613 .0056 .0055 .0078 0 .0024 0 |
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O9 .0680 .7843 .1333 .0086 .0054 .0082 .0004 .0016 .0001 |
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O10A .4444 0 .0494 .95 .0087 .0158 .0126 0 -.0011 0 |
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O10B 0 .5 0 .15 2.7 |
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O11 .6678 .2877 .3991 .0092 .0064 .0060 -.0002 -.0020 -.0011 |
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O12 .5757 0 .2812 .0047 .0059 .0084 0 -.0011 0 |
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O13 .4313 0 .2005 .0075 .0045 .0094 0 -.0016 0 |
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O14 .0767 0 .2927 .0068 .0050 .0066 0 -.0013 0 |
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O15 .8314 0 .9594 .0052 .0044 .0098 0 .0002 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 (permalink) |
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Boralsilite |
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Grew E S, Graetsch H A, Poter B, Yates M G, Buick I, Bernhardt H-J, Schreyer W, |
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Werding G, Carson C J, Clarke G L |
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American Mineralogist 93 (2008) 283-299 |
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Boralsilite, Al16B6Si2O37, and "boron-mullite:" compositional variations and |
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associated phases in experiment and nature |
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Locality: synthetic |
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Sample: run W2 |
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_database_code_amcsd 0004524 |
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14.797 5.5800 15.095 90 91.750 90 C2/m |
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atom x y z occ Uiso |
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Al1 .868 0 .343 .030 |
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Al2 .814 0 .160 .024 |
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Al3 .574 0 .074 .021 |
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Al4 .676 0 .339 .012 |
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Al5 .004 .255 .246 .019 |
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Al6 .75 .25 0 .017 |
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Al7 .75 .25 .5 .010 |
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Si .424 0 .419 .86 .007 |
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B .424 0 .419 .14 .007 |
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B1 .096 0 .098 .007 |
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B2 .379 0 .118 .88 .007 |
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Si2 .379 0 .118 .12 .007 |
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B3 .138 0 .360 .007 |
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O1 .764 0 .269 .010 |
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O2 .798 0 .440 .010 |
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O3 .919 0 .218 .010 |
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O4 .936 .739 .357 .010 |
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O5 0 .5 .5 .010 |
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O6 .325 0 .457 .010 |
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O7 .322 .214 .106 .010 |
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O8 .702 0 .074 .010 |
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O9 .068 .214 .134 .010 |
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O10 .452 0 .048 .010 |
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O11 .166 .214 .397 .010 |
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O12 .578 0 .280 .010 |
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O13 .421 0 .204 .010 |
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O14 .069 0 .296 .010 |
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O15 .167 0 .041 .010 |
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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 (permalink) |
| |
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