|
Cascandite |
 |
Mellini M, Merlino S |
 |
American Mineralogist 67 (1982) 604-609 |
|
The crystal structure of cascandite, CaScSi3O8(OH) |
|
9.791 10.420 7.076 98.91 102.63 84.17 C-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .0027 .6629 .9128 0.0037 0.0024 0.0036 0.0003 0.0013 0.0010 |
|
Sc -.0019 .6421 .4062 0.0010 0.0013 0.0010 -.0004 0.0000 0.0004 |
|
Si1 .2163 .0402 .0886 0.0019 0.0020 0.0027 -.0001 0.0004 0.0008 |
|
Si2 .2102 .0666 .5229 0.0018 0.0018 0.0026 -.0002 0.0003 0.0010 |
|
Si3 .2055 .8366 .7399 0.0020 0.0018 0.0028 -.0006 0.0002 0.0006 |
|
O1 .1160 .4490 .8729 0.0019 0.0026 0.0042 -.0004 0.0001 0.0010 |
|
O2 .1176 .4462 .4203 0.0018 0.0025 0.0040 -.0003 0.0002 0.0008 |
|
O3 .1279 .6930 .2416 0.0024 0.0038 0.0047 -.0006 0.0003 0.0013 |
|
O4 .1295 .1568 -.0262 0.0046 0.0025 0.0052 0.0010 0.0016 0.0019 |
|
O5 .1479 .2006 .6291 0.0040 0.0022 0.0049 0.0002 0.0015 0.0003 |
|
O6 .1113 .7139 .6736 0.0026 0.0024 0.0043 -.0009 -.0002 0.0008 |
|
O7 .1571 .0538 .2871 0.0023 0.0038 0.0036 -.0002 0.0006 0.0010 |
|
O8 .1507 .9458 .5940 0.0033 0.0027 0.0066 -.0009 0.0005 0.0022 |
|
OH9 .1815 .8981 .9601 0.0036 0.0029 0.0037 -.0011 0.0009 0.0001 |
|
H .13 .18 .86 |
|
|
| 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.
