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Portlandite |
 |
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = .07 GPa |
|
_database_code_amcsd 0009069 |
|
3.5717 3.57 4.8743 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .006 |
|
O 1/3 2/3 .2376 .021 |
|
D .369 .738 .4269 1/3 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = .15 GPa |
|
_database_code_amcsd 0009070 |
|
3.5692 3.5692 4.8758 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .003 |
|
O 1/3 2/3 .2382 .021 |
|
D .367 .734 .4268 1/3 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = .78 GPa |
|
_database_code_amcsd 0009071 |
|
3.5592 3.5592 4.8155 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .006 |
|
O 1/3 2/3 .2394 .020 |
|
D .371 .742 .4290 1/3 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 1.61 GPa |
|
_database_code_amcsd 0009072 |
|
3.5462 3.5462 4.7428 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .019 |
|
O 1/3 2/3 .2421 .015 |
|
D .374 .748 .4299 1/3 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 2.08 GPa |
|
_database_code_amcsd 0009073 |
|
3.5384 3.5384 4.7084 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .027 |
|
O 1/3 2/3 .2439 .013 |
|
D .375 .750 .4301 1/3 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 2.35 GPa |
|
_database_code_amcsd 0009074 |
|
3.5341 3.5341 4.6861 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .028 |
|
O 1/3 2/3 .2449 .013 |
|
D .375 .750 .432 1/3 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 2.44 GPa |
|
_database_code_amcsd 0009075 |
|
3.5317 3.5317 4.6775 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .033 |
|
O 1/3 2/3 .2455 .012 |
|
D .381 .762 .431 1/3 .055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 3.40 GPa |
|
_database_code_amcsd 0009076 |
|
3.5175 3.5175 4.6186 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .034 |
|
O 1/3 2/3 .243 .013 |
|
D .401 .802 .421 1/3 .067 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 4.53 GPa |
|
_database_code_amcsd 0009077 |
|
3.5002 3.5002 4.5646 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Ca 0 0 0 .027 |
|
O 1/3 2/3 .238 .013 |
|
D .423 .846 .422 1/3 .053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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