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Portlandite |
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Henderson D M, Gutowsky H S |
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American Mineralogist 47 (1962) 1231-1251 |
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A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 |
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T = -190 C |
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3.585 3.585 4.871 90 90 120 P-3m1 |
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atom x y z |
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Ca 0 0 0 |
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O 1/3 2/3 .2330 |
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H 1/3 2/3 .437 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Henderson D M, Gutowsky H S |
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American Mineralogist 47 (1962) 1231-1251 |
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A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 |
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T = 25 C |
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3.5925 3.5925 4.905 90 90 120 P-3m1 |
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atom x y z |
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Ca 0 0 0 |
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O 1/3 2/3 .2330 |
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H 1/3 2/3 .418 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 0.5 GPa |
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3.5682 3.5682 4.8625 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .30 |
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OH 1/3 2/3 .233 1.0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 2.4 GPa |
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3.5338 3.5338 4.7120 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .33 |
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OH 1/3 2/3 .244 1.2 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 4.3 GPa |
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3.5104 3.5104 4.6294 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .27 |
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OH 1/3 2/3 .249 .9 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 6.3 GPa |
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3.4806 3.4806 4.5352 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .38 |
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OH 1/3 2/3 .258 .9 |
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| 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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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 8.1 GPa |
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3.4575 3.4575 4.451 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .8 |
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OH 1/3 2/3 .266 1.8 |
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| 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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Portlandite |
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Nagai T, Ito T, Hattori T, Yamanaka T |
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Physics and Chemistry of Minerals 27 (2000) 462-466 |
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Compression mechanism and amorphization of portlandite, |
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Ca(OH)2: structural refinement under pressure |
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Sample: P = 9.7 GPa |
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3.442 3.442 4.4053 90 90 120 P-3m1 |
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atom x y z Biso |
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Ca 0 0 0 .5 |
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OH 1/3 2/3 .272 2.2 |
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| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .07 GPa |
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3.5717 3.57 4.8743 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .006 |
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O 1/3 2/3 .2376 .021 |
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D .369 .738 .4269 1/3 .019 |
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| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .15 GPa |
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3.5692 3.5692 4.8758 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .003 |
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O 1/3 2/3 .2382 .021 |
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D .367 .734 .4268 1/3 .024 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .78 GPa |
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3.5592 3.5592 4.8155 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .006 |
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O 1/3 2/3 .2394 .020 |
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D .371 .742 .4290 1/3 .023 |
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| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = 1.61 GPa |
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3.5462 3.5462 4.7428 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .019 |
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O 1/3 2/3 .2421 .015 |
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D .374 .748 .4299 1/3 .031 |
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| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = 2.08 GPa |
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3.5384 3.5384 4.7084 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .027 |
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O 1/3 2/3 .2439 .013 |
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D .375 .750 .4301 1/3 .042 |
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| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = 2.35 GPa |
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3.5341 3.5341 4.6861 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .028 |
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O 1/3 2/3 .2449 .013 |
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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 |
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pressure and temperature |
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Sample: P = 2.44 GPa |
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3.5317 3.5317 4.6775 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .033 |
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O 1/3 2/3 .2455 .012 |
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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 |
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pressure and temperature |
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Sample: P = 3.40 GPa |
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3.5175 3.5175 4.6186 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .034 |
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O 1/3 2/3 .243 .013 |
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D .401 .802 .421 1/3 .067 |
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|
| 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 |
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Sample: P = 4.53 GPa |
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3.5002 3.5002 4.5646 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .027 |
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O 1/3 2/3 .238 .013 |
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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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Portlandite |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 239-444 |
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Second edition. Interscience Publishers, New York, New York |
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Note: cadmium iodide structure |
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3.5844 3.5844 4.8962 90 90 120 P-3m1 |
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atom x y z |
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Ca 0 0 0 |
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OH 1/3 2/3 .2330 |
|
|
| 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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