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delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 0.0001 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004662 |
|
4.7179 4.2361 2.8323 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .277 0 .0050 |
|
O1 .339 .501 0 .0053 |
|
O2 .645 .000 0 .0053 |
|
D .521 .191 0 .744 .0138 |
|
H .521 .191 0 .256 .0138 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 0.6 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004663 |
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4.7112 4.2284 2.8296 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .274 0 .0063 |
|
O1 .339 .499 0 .0053 |
|
O2 .643 .000 0 .0053 |
|
D .518 .194 0 .744 .0135 |
|
H .518 .194 0 .256 .0135 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 2.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004664 |
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4.6969 4.2133 2.8243 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .274 0 .0039 |
|
O1 .343 .498 0 .0054 |
|
O2 .647 .001 0 .0054 |
|
D .522 .195 0 .744 .0118 |
|
H .522 .195 0 .256 .0118 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 3.5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004665 |
|
4.6827 4.1962 2.8181 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .271 0 .0051 |
|
O1 .341 .496 0 .0051 |
|
O2 .645 .003 0 .0051 |
|
D .519 .198 0 .744 .0128 |
|
H .519 .198 0 .256 .0128 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 4.7 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004666 |
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4.6706 4.1836 2.8129 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .271 0 .0052 |
|
O1 .338 .498 0 .0063 |
|
O2 .643 .004 0 .0063 |
|
D .517 .200 0 .744 .0149 |
|
H .517 .200 0 .256 .0149 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 6.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004667 |
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4.6601 4.1711 2.8076 90 90 90 P2_1nm |
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atom x y z occ Uiso |
|
Al 0 .270 0 .0058 |
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O1 .336 .495 0 .0057 |
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O2 .640 .003 0 .0057 |
|
D .515 .203 0 .744 .0146 |
|
H .515 .203 0 .256 .0146 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 7.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004668 |
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4.6506 4.1610 2.8033 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .270 0 .0040 |
|
O1 .341 .493 0 .0046 |
|
O2 .644 .004 0 .0046 |
|
D .513 .207 0 .744 .0134 |
|
H .513 .207 0 .256 .0134 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 7. 9 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004669 |
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4.6432 4.1529 2.8000 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .267 0 .0037 |
|
O1 .342 .494 0 .0040 |
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O2 .645 .005 0 .0040 |
|
D .513 .209 0 .744 .0117 |
|
H .513 .209 0 .256 .0117 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 8.4 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004670 |
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4.6393 4.1477 2.7978 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .265 0 .0043 |
|
O1 .347 .494 0 .0042 |
|
O2 .648 .006 0 .0042 |
|
D .517 .212 0 .744 .0130 |
|
H .517 .212 0 .256 .0130 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 8.9 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004671 |
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4.6357 4.1434 2.7961 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
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Al 0 .265 0 .0048 |
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O1 .341 .492 0 .0037 |
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O2 .643 .007 0 .0037 |
|
D .511 .215 0 .744 .0127 |
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H .511 .215 0 .256 .0127 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 9.2 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004672 |
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4.6328 4.1401 2.7947 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .265 0 .0046 |
|
O1 .343 .492 0 .0038 |
|
O2 .646 .007 0 .0038 |
|
D .513 .212 0 .744 .0128 |
|
H .513 .212 0 .256 .0128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AlOOH |
| |
Suzuki A, Ohtani E, Kamada T |
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Physics and Chemistry of Minerals 27 (2000) 689-693 |
|
A new hydrous phase delta-AlOOH synthesized at 21 GPa and 1000 C |
|
_database_code_amcsd 0008490 |
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4.7134 4.2241 2.83252 90 90 90 P2_1nm |
|
atom x y z Biso |
|
Al 0 .274 0 .4 |
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O .336 .491 0 .4 |
|
OH .641 .007 0 .4 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOH |
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Kudoh Y, Kuribayashi T, Suzuki A, Ohtani E, Kamada T |
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Physics and Chemistry of Minerals 31 (2004) 360-364 |
|
Space group and hydrogen sites of delta-AlOOH and implications |
|
for a hypothetical high-pressure form of Mg(OH)2 |
|
_database_code_amcsd 0008865 |
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4.6975 4.2060 2.8327 90 90 90 Pnn2 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al 0 .5 0 .84 .45 .0053 .0072 .0044 .0007 0 0 |
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Si 0 .5 0 .09 .45 .0053 .0072 .0044 .0007 0 0 |
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Mg 0 .5 0 .07 .45 .0053 .0072 .0044 .0007 0 0 |
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O .3500 .7472 .0103 .46 .0066 .0036 .0071 .0008 .0050 .0005 |
|
H1 .558 .511 .962 .30 2.04 |
|
H2 .015 .749 .495 .20 .10 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AlOOH |
| |
Vanpeteghem C B, Sano A, Komatsu K, Ohtani E, Suzuki A |
| |
Physics and Chemistry of Minerals 34 (2007) 657-661 |
|
Neutron diffraction study of aluminous hydroxide d-AlOOD |
|
_database_code_amcsd 0009112 |
|
4.71236 4.23110 2.82890 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .2760 0 .0021 |
|
O1 .3410 .5016 0 .0027 |
|
O2 .6459 -.0022 0 .0034 |
|
D .5180 .1923 0 .744 .0111 |
|
H .5180 .1923 0 .256 .0111 |
|
|
| 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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