|
Sulfoborite |
 |
Giese R F, Penna G |
 |
American Mineralogist 68 (1983) 255-261 |
|
The crystal structure of sulfoborite, Mg3SO4(B(OH)4)2(OH)F |
|
_database_code_amcsd 0000890 |
|
10.132 12.537 7.775 90 90 90 Pnma |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
B .3186 .5028 .0854 0.00157 0.00100 0.00184 0.00012 0.00064 -.00036 |
|
Mg1 .1838 .25 .4849 0.00190 0.00106 0.00305 0 -.00026 0 |
|
Mg2 .0687 .6261 .2504 0.00184 0.00133 0.00317 0.00000 0.00041 0.00042 |
|
S .4883 .25 .3901 0.00174 0.00115 0.00238 0 0.00087 0 |
|
F .4700 .75 .1468 0.00179 0.00124 0.00424 0 -.00160 0 |
|
O1 .4939 .6538 .5019 0.00345 0.00160 0.00406 -.00126 0.00257 -.00161 |
|
O2 .3538 .25 .3167 0.00179 0.00305 0.00441 0 -.00161 0 |
|
O3 .0851 .25 .2479 0.00319 0.00229 0.00426 0 -.00472 0 |
|
Oh4 .1699 .4091 .4674 0.00371 0.00103 0.00255 -.00032 -.00570 -.00006 |
|
Oh5 .1800 .4968 .1532 0.00136 0.00157 0.00374 -.00045 0.00066 -.00099 |
|
Oh6 .1496 .5965 .4931 0.00302 0.00115 0.00344 0.00068 -.00133 -.00019 |
|
Oh7 .1985 .75 .1985 0.00131 0.00163 0.00244 0 -.00061 0 |
|
Oh8 .4081 .5241 .2297 0.00252 0.00197 0.00275 -.00096 -.00118 0.00074 |
|
H1 .1480 .4560 .1110 -0.32 |
|
H2 .1750 .4260 .375 0.61 |
|
H3 .3550 .3620 .0470 -0.24 |
|
H4 .3950 .4940 .2980 0.15 |
|
H5 .2290 .75 .2540 -1.40 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
