American Mineralogist Crystal Structure Database

3 matching records for this search.

Borax
Download hom/borax.pdf
Levy H A, Lisensky G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=3502
Acta Crystallographica B34 (1978) 3502-3510
Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium
tetraborate decahydrate (borax). Redetermination by neutron diffraction
Locality: Synthetic
Note: anisoU's from ICSD
_database_code_amcsd 0009647
11.885 10.654 12.206 90 106.623 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      0     0     0  .0251  .0298  .0254  .0001  .0053  .0020
Na2      0 .8469   .25  .0288  .0316  .0289      0  .0132      0
B1   .0853 .3452 .2151  .0141  .0165  .0142  .0021  .0047 -.0006
B2   .0978 .4566 .3918  .0135  .0193  .0145 -.0026  .0044 -.0038
O1       0 .2672   .25  .0189  .0146  .0152      0  .0037      0
O2   .1544 .4194 .3146  .0157  .0251  .0184 -.0036  .0067 -.0055
O3   .0194 .4346 .1243  .0159  .0256  .0200  .0040  .0075  .0083
O4   .1614 .2712 .1679  .0206  .0328  .0227  .0082  .0060 -.0078
O5   .1622 .5163 .4895  .0202  .0421  .0227 -.0104  .0078 -.0159
O6   .1240 .8463 .4493  .0223  .0339  .0291 -.0009  .0048  .0028
O7   .1233 .0009 .1956  .0243  .0263  .0332 -.0018  .0073 -.0008
O8   .1197 .1647 .4615  .0293  .0360  .0291  .0005  .0055  .0096
O9   .1171 .7049 .1718  .0324  .0321  .0354  .0001  .0050 -.0068
H4   .7616 .2597 .2807  .0219  .0451  .0416 -.0058  .0047  .0060
H5   .1127 .4589 .0379  .0354  .0468  .0291  .0057  .0127  .0128
H6A  .3003 .3857 .0367  .0332  .0497  .0511  .0050  .0106 -.0044
H6B  .8662 .2109 .4875  .0426  .0419  .0522  .0016  .0144  .0117
H7A  .2984 .4755 .3064  .0322  .0427  .0445 -.0018  .0093 -.0022
H7B  .1276 .0909 .2021  .0494  .0338  .0515  .0009  .0060 -.0066
H8A  .9160 .1958 .1158  .0488  .0436  .0332 -.0002  .0109 -.0061
H8B  .8064 .1290 .0364  .0335  .0829  .0072 -.0101  .0121 -.0210
H9A  .4004 .1177 .3362  .0611  .0370  .0760  .0035  .0185  .0143
H9B  .6152 .2359 .0967  .0587  .0603  .0389  .0065  .0122 -.0049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Borax
Download hom/borax.pdf
Gainsford G J, Kemmitt T, Higham C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=64&spage=24
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Borax
Download hom/borax.pdf
Morimoto N
 
Mineralogical Journal 2 (1956) 1-18
The crystal structure of borax
Locality: synthetic
_database_code_amcsd 0019358
11.858 10.674 12.197 90 106.68 90 C2/c
atom    x    y    z Biso
Na1     0    0    0 1.60
Na2     0 .845  .25 1.60
B1   .085 .345 .217 1.60
B2   .095 .454  .39 1.60
O1      0 .265  .25 1.60
O2   .154 .419 .314 1.60
O3   .018 .435 .123 1.60
OH4  .161 .269 .167 1.60
OH5  .163 .511 .491 1.60
Wat6 .123 .846  .45 1.60
Wat7 .125 .002 .196 1.60
Wat8 .119 .165 .459 1.60
Wat9 .116 .707 .171 1.60
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 3
View in amc, download in amc

Return to AMCSD Home Page