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