Brewsterite-Sr
Schlenker J L, Pluth J J, Smith J V
Acta Crystallographica B33 (1977) 2907-2910
Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O
_database_code_amcsd 0009605
6.793 17.573 7.759 90 94.54 90 P2_1/m
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr    .2501   .25 .1780 .71  .0080  .0009  .0042      0  .0005      0
Ba    .2501   .25 .1780 .24  .0080  .0009  .0042      0  .0005      0
K     .2501   .25 .1780 .01  .0080  .0009  .0042      0  .0005      0
Al(A) .3218 .0812 .8224 .27  .0054  .0013  .0029  .0001  .0002      0
Si(A) .3218 .0812 .8224 .73  .0054  .0013  .0029  .0001  .0002      0
Al(B) .4054 .0566 .2108 .37  .0068  .0012  .0036  .0001  .0005  .0001
Si(B) .4054 .0566 .2108 .63  .0068  .0012  .0036  .0001  .0005  .0001
Al(C) .5553 .1582 .5336 .36  .0064  .0011  .0031  .0002  .0007  .0002
Si(C) .5553 .1582 .5336 .64  .0064  .0011  .0031  .0002  .0007  .0002
Si(D) .9087 .0528 .6410      .0050  .0010  .0036  .0002      0 -.0001
O1    .3501 .1059 .0283      .0122  .0018  .0037 -.0003  .0009 -.0002
O2    .4218 .1240 .3607      .0104  .0029  .0062  .0008  .0009 -.0013
O3    .7825 .1211 .5454      .0096  .0019  .0071  .0013  .0012  .0009
O4    .4500 .1408 .7150      .0117  .0021  .0054  .0001  .0029  .0006
O5    .0850 .0920 .7615      .0081  .0025  .0097  .0022 -.0022 -.0020
O6    .2228 .9966 .2388      .0139  .0022  .0128 -.0012  .0022  .0021
O7    .3851 .9921 .7952      .0094  .0016  .0074  .0006  .0005 -.0004
O8        0     0    .5      .0189  .0030  .0096  .0029 -.0015 -.0030
O9    .5718   .25 .4994      .0204  .0014  .0134      0  .0089      0
Wat1  .0598   .25 .4699      .0256  .0040  .0123      0  .0063      0
Wat2  .9286 .1474 .1518      .0234  .0045  .0299  .0007  .0079  .0035
Wat3  .5996   .25 .0241      .0185  .0037  .0224      0  .0067      0
Wat4  .0665   .25 .8660      .0395  .0022  .0112      0 -.0017      0