American Mineralogist Crystal Structure Database

7 matching records for this search.

Behoite
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Seitz A, Rosler U, Schubert K
 
Zeitschrift fur Anorganische und Allgemeine Chemie 261 (1950) 94-105
Kristallstruktur von beta-Be(OH)2
_database_code_amcsd 0015763
4.620 7.039 4.535 90 90 90 *P2_12_12_1
.25 .25 .25
atom    x    y    z
Be   .047 .125 .220
OH1  .345 .015 .090
OH2  .140 .285 .440
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Behoite
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Stahl R, Jung C, Lutz H D, Kockelmann W, Jacobs H
 
Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1130-1136
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
und epsilon-Zn(OH)2
Note: X-ray single-crystal
_database_code_amcsd 0018269
4.530 4.621 7.048 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0304 .7087 .6268  .64   .011   .005   .008   .000   .001   .000
O1   .1921 .1067 .0428  .81  .0094  .0063  .0152  .0010  .0038  .0014
O2   .1569 .4214 .7313  .72  .0063  .0068  .0144  .0001  .0003  .0027
H1     .32  .060  .552  1.1
H2     .32   .44  .780  1.1
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View JMOL 3-D Structure (permalink)
 
Behoite
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Stahl R, Jung C, Lutz H D, Kockelmann W, Jacobs H
 
Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1130-1136
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
und epsilon-Zn(OH)2
Note: Neutron diffraction
_database_code_amcsd 0018270
4.5336 4.6255 7.0384 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0302 .7077 .6261  .85   .007   .013   .007  -.005   .004  -.009
O1    .193  .104 .0413 1.07   .009   .011   .012   .007   .003   .001
O2    .152  .424 .7294 2.01   .010   .013   .008   .000  -.005   .005
D1    .267  .096 .5983 2.49   .026   .015   .033   .006   .007  -.002
D2    .352  .434 .7780 2.58   .021   .025   .031   .001  -.001   .005
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Behoite
Download hom/behoite.pdf
Stahl R, Jung C, Lutz H D, Kockelmann W, Jacobs H
 
Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1130-1136
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
und epsilon-Zn(OH)2
Note: combined X-ray and Neutron diffraction
_database_code_amcsd 0018271
4.5328 4.6252 7.0379 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0304 .7073 .6259  .85  .0081  .0080  .0093  .0003  .0012  .0011
O1   .1915 .1059 .0426 1.00  .0118  .0051  .0131  .0008  .0037  .0008
O2   .1571 .4218 .7316  .96  .0085  .0070  .0133  .0005  .0002  .0029
H1   .2686 .0958 .5577 2.38   .021   .017   .033   .006   .001  -.001
H2   .3531 .4372 .7790 2.48   .019   .031   .024  -.003   .003   .008
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Behoite
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Jacobs H, Niemann A, Kockelmann W
 
Zeitschrift fur Anorganische und Allgemeine Chemie 631 (2005) 1247-1254
Low temperature investigations of hydrogen bridge bonds in the hydroxides
beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction
Locality: synthetic
Sample: T = 245 K
_database_code_amcsd 0015821
4.5356 4.6317 7.0379 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0309 .7070 .6264  1.2   .015   .013   .016  -.006   .006  -.006
O1   .1922 .1083 .0427  1.4   .017   .012   .026  -.007   .002      0
O2   .1553 .4157 .7297  1.2   .007   .026   .013   .004  -.006   .002
D1   .2713 .0973 .5601  2.1   .026   .024   .027  -.001   .007      0
D2   .3525 .4327 .7791  2.4   .034   .036   .022  -.003  -.007   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Behoite
Download hom/behoite.pdf
Jacobs H, Niemann A, Kockelmann W
 
Zeitschrift fur Anorganische und Allgemeine Chemie 631 (2005) 1247-1254
Low temperature investigations of hydrogen bridge bonds in the hydroxides
beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction
Locality: synthetic
Sample: T = 50 K
_database_code_amcsd 0015822
4.5260 4.6318 7.0192 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0327 .7056 .6270   .8   .009   .009   .013  -.002   .001  -.001
O1   .1894 .1063 .0454  1.0   .016   .010   .013  -.001  -.001   .004
O2   .1522 .4145 .7286  1.0   .007   .024   .008  -.001  -.003  -.004
D1   .2734 .0949 .5643  1.7   .020   .022   .025      0   .004  -.005
D2   .3528 .4303 .7805  1.9   .028   .024   .021      0  -.007   .004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Behoite
Download hom/behoite.pdf
Jacobs H, Niemann A, Kockelmann W
 
Zeitschrift fur Anorganische und Allgemeine Chemie 631 (2005) 1247-1254
Low temperature investigations of hydrogen bridge bonds in the hydroxides
beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction
Locality: synthetic
Sample: T = 5 K
_database_code_amcsd 0015823
4.5259  4.6314 7.0193 90 90 90 P2_12_12_1
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Be   .0340 .7046 .6274  1.0   .009   .016   .014   .002   .009  -.006
O1   .1892 .1081 .0450  1.5   .026   .012   .018   .005  -.003      0
O2   .1527  .412 .7276  1.4   .009   .026   .018  -.007  -.006  -.004
D1    .274  .094 .5640  2.0   .026   .023   .026   .002   .002  -.004
D2    .352  .427 .7786  2.3   .030   .033   .025   .001  -.013  -.004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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