|
S3O9 |
| |
McDonald W S, Cruickshank D W J |
 |
Acta Crystallographica 22 (1967) 48-51 |
|
A refinement of the structure of S3O9 |
|
_database_code_amcsd 0009304 |
|
5.191 10.82 12.384 90 90 90 P2_1nb |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
S1 .2090 .1304 .0819 .039 .041 .034 .0035 -.0040 .0015 |
|
S2 .0407 .3055 -.0731 .049 .040 .021 .0005 -.0030 .0035 |
|
S3 0 .3590 .1487 .029 .056 .028 .0025 -.0055 -.0085 |
|
O1 .1261 .0074 .1029 .071 .036 .060 -.0030 .005 .0090 |
|
O2 .4537 .1754 .0835 .054 .073 .055 .012 -.002 -.008 |
|
O3 .0706 .1623 -.0321 .062 .025 .028 .0005 -.0013 -.0015 |
|
O4 -.1469 .2940 -.1585 .075 .104 .032 -.018 -.014 .0015 |
|
O5 .2737 .3648 -.0817 .041 .065 .052 -.003 .004 .0125 |
|
O6 -.1138 .3608 .0270 .018 .058 .033 .0045 -.0135 .0075 |
|
O7 .2327 .4165 .1483 .032 .056 .049 -.0022 -.0035 -.0085 |
|
O8 -.2069 .3889 .2174 .047 .054 .056 -.0075 -.003 -.005 |
|
O9 .0254 .2112 .1619 .059 .042 .026 -.007 .0065 -.0080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hemimorphite |
 |
McDonald W S, Cruickshank D W J |
 |
Zeitschrift fur Kristallographie 124 (1967) 180-191 |
|
Refinement of the structure of hemimorphite |
|
Locality: sample is from the same batch of crystals used by |
|
Barclay and Cox (1960) |
|
Note: Photographic Data |
|
_database_code_amcsd 0010635 |
|
8.373 10.718 5.12 90 90 90 Imm2 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .2044 .1611 0 .013 .016 .016 -.0025 -.002 -.001 |
|
Si 0 .1474 .5083 .012 .014 .009 0 0 .000 |
|
O1 .1585 .2089 .6370 .013 .020 .021 -.012 -.006 -.0085 |
|
O2 0 .1687 .1909 .012 .017 .015 0 0 .0015 |
|
OH3 .3088 0 .0396 .029 .014 .050 0 .000 0 |
|
O4 0 0 .5816 .022 .018 .031 0 0 0 |
|
Wat5 .5 0 .5051 .070 .191 .009 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hemimorphite |
|
McDonald W S, Cruickshank D W J |
|
Zeitschrift fur Kristallographie 124 (1967) 180-191 |
|
Refinement of the structure of hemimorphite |
|
Locality: sample is from the same batch of crystals used by |
|
Barclay and Cox (1960) |
|
Note: Diffractometer Data |
|
_database_code_amcsd 0010636 |
|
8.373 10.718 5.12 90 90 90 Imm2 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn .2044 .1612 0 .008 .012 .012 -.0025 .001 .0005 |
|
Si 0 .1463 .5054 .005 .009 .009 0 0 -.001 |
|
O1 .1590 .2067 .6378 .005 .020 .015 -.0065 -.001 .0015 |
|
O2 0 .1656 .1909 .007 .024 .016 0 0 -.003 |
|
OH3 .3071 0 .0356 .025 .009 .037 0 -.0085 0 |
|
O4 0 0 .5896 .014 .011 .016 0 0 0 |
|
Wat5 .5 0 .509 .040 .140 .062 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
(B10H13)2O |
| |
Greenwood N N, McDonald W S, Spalding T R |
| |
Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1980 (1980) 1251-1252 |
|
Crystal and molecular structure of 6,6 bis(nido-decaboranyl) oxide (B10H13)2O |
|
Locality: synthetic |
|
_database_code_amcsd 0018697 |
|
24.838 6.816 10.132 90 98.43 90 C2/c |
|
atom x y z |
|
O1 0 .0839 .25 |
|
B1 .12179 .1896 .0212 |
|
B2 .05953 .2692 .0666 |
|
B3 .11806 .4190 .0995 |
|
B4 .18062 .2899 .1179 |
|
B5 .08319 .0235 .0974 |
|
B6 .04587 .1536 .2082 |
|
B7 .07654 .3926 .2227 |
|
B8 .15754 .4055 .2555 |
|
B9 .1934 .1793 .2698 |
|
B10 .16347 .0384 .1305 |
|
H1 .1225 .158 -.088 |
|
H2 .0253 .309 -.011 |
|
H3 .1159 .568 .052 |
|
H4 .2134 .346 .067 |
|
H5 .0664 -.109 .051 |
|
H6 .0533 .510 .256 |
|
H7 .1735 .534 .306 |
|
H8 .3210 .159 .329 |
|
H9 .1837 -.096 .094 |
|
H10 .0819 .002 .216 |
|
H11 .0788 .259 .300 |
|
H12 .1605 .274 .336 |
|
H13 .1697 .023 .256 |
|
|
| 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.
