Diaspore
Hill R J
Physics and Chemistry of Minerals 5 (1979) 179-200
Crystal structure refinement and electron density distribution in diaspore
Sample: Neutral atom refinement
_database_code_amcsd 0007340
4.4007 9.4253 2.8452 90 90 90 Pbnm
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al .04476 -.14456 -.25 .00395 .00267 .00261 .00006 0 0
O1 .71228 .19882 -.25 .00426 .00413 .00333 .00070 0 0
O2 .19698 .05350 -.25 .00379 .00394 .00444 -.00059 0 0
H .4095 .0876 -.25 .0109 .0213 .0206 -.0004 0 0
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Diaspore
Hill R J
Physics and Chemistry of Minerals 5 (1979) 179-200
Crystal structure refinement and electron density distribution in diaspore
Sample: Core/valence population and kappa refinement
_database_code_amcsd 0007341
4.4007 9.4253 2.8452 90 90 90 Pbnm
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al .04472 -.14450 -.25 .00410 .00279 .00270 .00007 0 0
O1 .71234 .19892 -.25 .00568 .00601 .00476 .00078 0 0
O2 .19714 .05338 -.25 .00437 .00450 .00515 -.00051 0 0
H .4095 .0876 -.25 .0109 .0213 .0206 -.0004 0 0
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Diaspore
Klug A, Farkas L
Physics and Chemistry of Minerals 7 (1981) 138-140
Structural investigations of polycrystalline diaspore samples
by x-ray powder diffraction
Note: sample #1
Locality: from the Ural Mts., USSR, associated with anatase
_database_code_amcsd 0007345
4.4036 9.4286 2.8459 90 90 90 Pbnm
atom x y z Biso
Al .0463 -.1438 .75 .88
O1 .7126 .1985 .75 1.01
OH2 .2066 .0536 .75 .60
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Diaspore
Klug A, Farkas L
Physics and Chemistry of Minerals 7 (1981) 138-140
Structural investigations of polycrystalline diaspore samples
by x-ray powder diffraction
Note: sample #2
Locality: from the Ural Mts., USSR, associated with anatase and rutile
_database_code_amcsd 0007346
4.4035 9.4269 2.8454 90 90 90 Pbnm
atom x y z Biso
Al .0461 -.1437 .75 1.67
O1 .7127 .1977 .75 1.98
OH2 .2080 .0538 .75 1.38
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Diaspore
Klug A, Farkas L
Physics and Chemistry of Minerals 7 (1981) 138-140
Structural investigations of polycrystalline diaspore samples
by x-ray powder diffraction
Note: sample #3
Locality: from Viet-Nam, associated with hematite, ilmenite and chamosite
_database_code_amcsd 0007347
4.4027 9.4273 2.8464 90 90 90 Pbnm
atom x y z Biso
Al .0481 -.1446 .75 1.70
O1 .7186 .1975 .75 1.80
OH2 .2060 .0561 .75 1.22
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Diaspore
Klug A, Farkas L
Physics and Chemistry of Minerals 7 (1981) 138-140
Structural investigations of polycrystalline diaspore samples
by x-ray powder diffraction
Note: sample #4
Locality: from Nezsa, Hungary, associated with kaolinite, anatase and goethite
_database_code_amcsd 0007348
4.4043 9.4296 2.8465 90 90 90 Pbnm
atom x y z Biso
Al .0445 -.1439 .75 1.34
O1 .7121 .1966 .75 1.99
OH2 .2093 .0538 .75 1.08
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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)
Sample: p = 2.0 GPa
_database_code_amcsd 0009052
4.374 9.39 2.833 90 90 90 Pbnm
atom x y z Uiso
Al .0452 .8558 .25 .002
O1 .7104 .1994 .25 .002
O2 .199 .0536 .25 .003
H .40 .10 .25 .03
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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)
Sample: p = 3.41 GPa
_database_code_amcsd 0009053
4.354 9.369 2.8281 90 90 90 Pbnm
atom x y z Uiso
Al .0448 .8568 .25 .009
O1 .709 .200 .25 .009
O2 .200 .055 .25 .008
H .39 .10 .25 .03
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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)
Sample: p = 4.89 GPa
_database_code_amcsd 0009054
4.335 9.34 2.820 90 90 90 Pbnm
atom x y z Uiso
Al .0451 .8563 .25 .004
O1 .7080 .198 .25 .004
O2 .2010 .053 .25 .004
H .39 .10 .25 .05
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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)
Sample: p = 5.71 GPa
_database_code_amcsd 0009055
4.328 9.336 2.818 90 90 90 Pbnm
atom x y z Uiso
Al .0452 .8568 .25 .003
O1 .7080 .198 .25 .003
O2 .2008 .054 .25 .004
H .38 .11 .25 .09
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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)
Sample: p = 7.1 GPa
_database_code_amcsd 0009056
4.315 9.32 2.812 90 90 90 Pbnm
atom x y z Uiso
Al .0447 .8572 .25 .003
O1 .7069 .1975 .25 .004
O2 .2005 .0535 .25 .004
H .35 .12 .25 .03
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Diaspore
Busing W, Levy H
Acta Crystallographica 11 (1958) 798-803
A Single Crystal Neutron Diffraction Study of Diaspore, Al O
_cod_database_code 1008750
_database_code_amcsd 0016629
4.401 9.421 2.845 90 90 90 Pbnm
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1 .0451 -.1446 .25 .34 .15 .31 .06 0 0
O1 .7120 .1989 .25 .31 .37 .11 -.10 0 0
O2 .1970 .0532 .25 .28 .25 .56 .05 0 0
H1 .4095 .0876 .25 .86 1.68 1.63 -.03 0 0
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Diaspore
Hoppe W
Zeitschrift fur Kristallographie 104 (1942) 11-17
Uber die kristallstruktur von alpha-AlOOH (diaspore). II. Fourieranalyse
Locality: Synthetic
_database_code_amcsd 0010572
4.42 9.44 2.84 90 90 90 Pbnm
atom x y z
Al -.048 .146 .25
O1 .287 -.199 .25
O2 -.198 -.056 .25
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Diaspore
Ewing F
Journal of Chemical Physics 3 (1935) 203-207
The Crystal Structure of Diaspore
_cod_database_code 1011027
_database_code_amcsd 0017933
4.4 9.39 2.84 90 90 90 Pbnm
atom x y z
Al1 -.036 .146 -.25
O1 .27 -.200 -.25
O2 -.21 -.052 -.25
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Diaspore
Hazemann J, Berar J, Manceau A
Materials Science Forum 79 (1991) 821-826
Rietveld studies of the aluminium-iron substitution in synthetic
goethite
_cod_database_code 1008769
_database_code_amcsd 0016646
4.4031 9.4252 2.8452 90 90 90 Pbnm
atom x y z
Al1 .045 .8549 .25
O1 .713 .199 .25
O2 .2 .0537 .25
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