Borax
Gainsford G J, Kemmitt T, Higham C
Acta Crystallographica E64 (2008) i24-i25
Redetermination of the borax structure from laboratory X-ray data at 145 K
Note T = 145 K
Locality: synthetic
_database_code_amcsd 0019359
11.8843 10.6026 12.2111 90 106.790 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Na1       0      0      0 .01676  .0165 .01812  .0158  .00057 .00485  .00047
Na2       0 .84795    .25 .01796  .0179  .0201  .0176    .000 .00773    .000
B1   .08552 .34499 .21553 .01044  .0100  .0121  .0096   .0012  .0035 -.00028
B2   .09847 .45643 .39269 .01154  .0108  .0133  .0111  -.0014  .0040  -.0014
O1        0 .26659    .25 .01094  .0117  .0104  .0111    .000  .0037    .000
O2   .15546 .41927 .31574 .01276  .0103  .0168  .0122 -.00223 .00493 -.00376
O3   .01964 .43573 .12445 .01339  .0103  .0180  .0130  .00309 .00519  .00559
O4   .16140 .27014 .16772 .01570  .0119  .0209  .0142  .00489 .00365 -.00434
O5   .16369 .51522 .49130 .01815  .0132  .0275  .0150 -.00595 .00593 -.00949
O6   .12357 .84607 .44846 .01851  .0146  .0219  .0186 -.00109 .00414  .00229
O7   .12296 .00117 .19548 .01799  .0151  .0160  .0232  .00012  .0061  .00003
O8   .11919 .16556 .46252 .02067  .0185  .0242  .0184  .00116  .0039  .00608
O9   .11746 .70654 .17227 .02187  .0217  .0196  .0229 -.00047  .0041 -.00352
H4    .7717  .2622  .2876   .032
H5    .1187  .4667  .0305   .040
H6A   .3089  .3828  .0413   .042
H6B   .8662  .2018  .4941   .051
H7A   .3098  .4817  .3051   .030
H7B   .1304  .0776  .2014   .039
H8A   .9099  .1906  .1075   .036
H8B   .8131  .1365  .0352   .034
H9A   .4018  .1300  .3385   .046
H9B   .6140  .2331  .1058   .053