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Diaspore |
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Hill R J |
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Physics and Chemistry of Minerals 5 (1979) 179-200 |
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Crystal structure refinement and electron density distribution in diaspore |
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Sample: Neutral atom refinement |
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4.4007 9.4253 2.8452 90 90 90 Pbnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al .04476 -.14456 -.25 .00395 .00267 .00261 .00006 0 0 |
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O1 .71228 .19882 -.25 .00426 .00413 .00333 .00070 0 0 |
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O2 .19698 .05350 -.25 .00379 .00394 .00444 -.00059 0 0 |
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H .4095 .0876 -.25 .0109 .0213 .0206 -.0004 0 0 |
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| Download AMC data (View Text File)
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Diaspore |
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Hill R J |
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Physics and Chemistry of Minerals 5 (1979) 179-200 |
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Crystal structure refinement and electron density distribution in diaspore |
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Sample: Core/valence population and kappa refinement |
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4.4007 9.4253 2.8452 90 90 90 Pbnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al .04472 -.14450 -.25 .00410 .00279 .00270 .00007 0 0 |
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O1 .71234 .19892 -.25 .00568 .00601 .00476 .00078 0 0 |
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O2 .19714 .05338 -.25 .00437 .00450 .00515 -.00051 0 0 |
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H .4095 .0876 -.25 .0109 .0213 .0206 -.0004 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Diaspore |
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Klug A, Farkas L |
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Physics and Chemistry of Minerals 7 (1981) 138-140 |
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Structural investigations of polycrystalline diaspore samples |
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by x-ray powder diffraction |
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Note: sample #1 |
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Locality: from the Ural Mts., USSR, associated with anatase |
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4.4036 9.4286 2.8459 90 90 90 Pbnm |
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atom x y z Biso |
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Al .0463 -.1438 .75 .88 |
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O1 .7126 .1985 .75 1.01 |
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OH2 .2066 .0536 .75 .60 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Diaspore |
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Klug A, Farkas L |
| |
Physics and Chemistry of Minerals 7 (1981) 138-140 |
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Structural investigations of polycrystalline diaspore samples |
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by x-ray powder diffraction |
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Note: sample #2 |
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Locality: from the Ural Mts., USSR, associated with anatase and rutile |
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4.4035 9.4269 2.8454 90 90 90 Pbnm |
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atom x y z Biso |
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Al .0461 -.1437 .75 1.67 |
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O1 .7127 .1977 .75 1.98 |
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OH2 .2080 .0538 .75 1.38 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Diaspore |
|
Klug A, Farkas L |
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Physics and Chemistry of Minerals 7 (1981) 138-140 |
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Structural investigations of polycrystalline diaspore samples |
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by x-ray powder diffraction |
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Note: sample #3 |
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Locality: from Viet-Nam, associated with hematite, ilmenite and chamosite |
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4.4027 9.4273 2.8464 90 90 90 Pbnm |
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atom x y z Biso |
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Al .0481 -.1446 .75 1.70 |
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O1 .7186 .1975 .75 1.80 |
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OH2 .2060 .0561 .75 1.22 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Diaspore |
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Klug A, Farkas L |
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Physics and Chemistry of Minerals 7 (1981) 138-140 |
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Structural investigations of polycrystalline diaspore samples |
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by x-ray powder diffraction |
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Note: sample #4 |
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Locality: from Nezsa, Hungary, associated with kaolinite, anatase and goethite |
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4.4043 9.4296 2.8465 90 90 90 Pbnm |
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atom x y z Biso |
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Al .0445 -.1439 .75 1.34 |
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O1 .7121 .1966 .75 1.99 |
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OH2 .2093 .0538 .75 1.08 |
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| Download AMC data (View Text File)
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Diaspore |
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Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
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Physics and Chemistry of Minerals 34 (2007) 145-157 |
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High-pressure properties of diaspore, AlO(OH) |
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Sample: p = 2.0 GPa |
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4.374 9.39 2.833 90 90 90 Pbnm |
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atom x y z Uiso |
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Al .0452 .8558 .25 .002 |
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O1 .7104 .1994 .25 .002 |
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O2 .199 .0536 .25 .003 |
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H .40 .10 .25 .03 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Diaspore |
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Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
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Physics and Chemistry of Minerals 34 (2007) 145-157 |
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High-pressure properties of diaspore, AlO(OH) |
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Sample: p = 3.41 GPa |
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4.354 9.369 2.8281 90 90 90 Pbnm |
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atom x y z Uiso |
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Al .0448 .8568 .25 .009 |
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O1 .709 .200 .25 .009 |
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O2 .200 .055 .25 .008 |
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H .39 .10 .25 .03 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Diaspore |
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Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
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Physics and Chemistry of Minerals 34 (2007) 145-157 |
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High-pressure properties of diaspore, AlO(OH) |
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Sample: p = 4.89 GPa |
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4.335 9.34 2.820 90 90 90 Pbnm |
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atom x y z Uiso |
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Al .0451 .8563 .25 .004 |
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O1 .7080 .198 .25 .004 |
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O2 .2010 .053 .25 .004 |
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H .39 .10 .25 .05 |
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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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Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
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High-pressure properties of diaspore, AlO(OH) |
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Sample: p = 5.71 GPa |
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4.328 9.336 2.818 90 90 90 Pbnm |
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atom x y z Uiso |
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Al .0452 .8568 .25 .003 |
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O1 .7080 .198 .25 .003 |
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O2 .2008 .054 .25 .004 |
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H .38 .11 .25 .09 |
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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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Diaspore |
|
Friedrich A, Wilson D J, Haussuhl E, Winkler B, Morgenroth W, Refson K, Milman V |
| |
Physics and Chemistry of Minerals 34 (2007) 145-157 |
|
High-pressure properties of diaspore, AlO(OH) |
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Sample: p = 7.1 GPa |
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4.315 9.32 2.812 90 90 90 Pbnm |
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atom x y z Uiso |
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Al .0447 .8572 .25 .003 |
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O1 .7069 .1975 .25 .004 |
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O2 .2005 .0535 .25 .004 |
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H .35 .12 .25 .03 |
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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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Diaspore |
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Hoppe W |
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Zeitschrift fur Kristallographie 104 (1942) 11-17 |
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Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse |
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Locality: Synthetic |
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4.42 9.44 2.84 90 90 90 Pbnm |
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atom x y z |
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Al -.048 .146 .25 |
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O1 .287 -.199 .25 |
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O2 -.198 -.056 .25 |
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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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