|
Ice |
 |
Fortes A D, Wood I G, Grigoriev D, Alfredsson M, Kipfstuhl S, Knight K S, Smith R I |
|
Journal of Chemical Physics 120 (2004) 11376-11379 |
|
No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction |
|
Note: T = 100 K |
|
Note: known as ice-IH |
|
Locality: Kohen Station, Antarctica |
|
_database_code_amcsd 0018366 |
|
4.497479 4.497479 7.322382 90 90 120 P6_3/mmc |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O 1/3 2/3 .0614 .0079 .0079 .0060 .0040 0 0 |
|
H1 1/3 2/3 .1964 .5 .0211 .0211 .0082 .0106 0 0 |
|
H2 .4510 .9019 .0179 .5 .0169 .0124 .0174 .0062 .0037 .0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Ice |
|
Fortes A D, Wood I G, Grigoriev D, Alfredsson M, Kipfstuhl S, Knight K S, Smith R I |
|
Journal of Chemical Physics 120 (2004) 11376-11379 |
|
No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction |
|
Note: T = 100 K |
|
Note: known as ice-IH |
|
Locality: Kohen Station, Antarctica |
|
_database_code_amcsd 0018366 |
|
4.497479 4.497479 7.322382 90 90 120 P6_3/mmc |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O 1/3 2/3 .0614 .0079 .0079 .0060 .0040 0 0 |
|
H1 1/3 2/3 .1964 .5 .0211 .0211 .0082 .0106 0 0 |
|
H2 .4510 .9019 .0179 .5 .0169 .0124 .0174 .0062 .0037 .0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
