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Behoite |
 |
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 |
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und epsilon-Zn(OH)2 |
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Note: X-ray single-crystal |
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_database_code_amcsd 0018269 |
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4.530 4.621 7.048 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0304 .7087 .6268 .64 .011 .005 .008 .000 .001 .000 |
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O1 .1921 .1067 .0428 .81 .0094 .0063 .0152 .0010 .0038 .0014 |
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O2 .1569 .4214 .7313 .72 .0063 .0068 .0144 .0001 .0003 .0027 |
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H1 .32 .060 .552 1.1 |
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H2 .32 .44 .780 1.1 |
|
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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
|
| |
|
Behoite |
|
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 |
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_database_code_amcsd 0018270 |
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4.5336 4.6255 7.0384 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0302 .7077 .6261 .85 .007 .013 .007 -.005 .004 -.009 |
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O1 .193 .104 .0413 1.07 .009 .011 .012 .007 .003 .001 |
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O2 .152 .424 .7294 2.01 .010 .013 .008 .000 -.005 .005 |
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D1 .267 .096 .5983 2.49 .026 .015 .033 .006 .007 -.002 |
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D2 .352 .434 .7780 2.58 .021 .025 .031 .001 -.001 .005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Behoite |
|
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 |
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_database_code_amcsd 0018271 |
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4.5328 4.6252 7.0379 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0304 .7073 .6259 .85 .0081 .0080 .0093 .0003 .0012 .0011 |
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O1 .1915 .1059 .0426 1.00 .0118 .0051 .0131 .0008 .0037 .0008 |
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O2 .1571 .4218 .7316 .96 .0085 .0070 .0133 .0005 .0002 .0029 |
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H1 .2686 .0958 .5577 2.38 .021 .017 .033 .006 .001 -.001 |
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H2 .3531 .4372 .7790 2.48 .019 .031 .024 -.003 .003 .008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wulfingite |
|
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 |
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_database_code_amcsd 0018272 |
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4.905 5.143 8.473 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .07096 .64832 .62420 1.009 .01323 .01253 .01256 .0002 .0003 .0005 |
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O1 .1155 .1256 .0795 1.17 .0132 .0164 .0148 .0018 .0011 .0008 |
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O2 .1670 .3172 .7198 1.18 .0179 .0118 .0149 .0025 .0035 .0016 |
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H1 .501 .36 .857 1.0 |
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H2 .28 .79 .170 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Behoite |
|
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 |
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Sample: T = 245 K |
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_database_code_amcsd 0015821 |
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4.5356 4.6317 7.0379 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0309 .7070 .6264 1.2 .015 .013 .016 -.006 .006 -.006 |
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O1 .1922 .1083 .0427 1.4 .017 .012 .026 -.007 .002 0 |
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O2 .1553 .4157 .7297 1.2 .007 .026 .013 .004 -.006 .002 |
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D1 .2713 .0973 .5601 2.1 .026 .024 .027 -.001 .007 0 |
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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
|
| |
|
Behoite |
|
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 |
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_database_code_amcsd 0015822 |
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4.5260 4.6318 7.0192 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0327 .7056 .6270 .8 .009 .009 .013 -.002 .001 -.001 |
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O1 .1894 .1063 .0454 1.0 .016 .010 .013 -.001 -.001 .004 |
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O2 .1522 .4145 .7286 1.0 .007 .024 .008 -.001 -.003 -.004 |
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D1 .2734 .0949 .5643 1.7 .020 .022 .025 0 .004 -.005 |
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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
|
| |
|
Behoite |
|
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 |
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4.5259 4.6314 7.0193 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Be .0340 .7046 .6274 1.0 .009 .016 .014 .002 .009 -.006 |
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O1 .1892 .1081 .0450 1.5 .026 .012 .018 .005 -.003 0 |
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O2 .1527 .412 .7276 1.4 .009 .026 .018 -.007 -.006 -.004 |
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D1 .274 .094 .5640 2.0 .026 .023 .026 .002 .002 -.004 |
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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
|
| |
|
Wulfingite |
|
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 = 298 K |
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_database_code_amcsd 0015824 |
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4.90855 5.14641 8.4880 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .0710 .6500 .6239 .94 .0065 .0116 .0102 -.0062 .0002 .0035 |
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O1 .1166 .1278 .0792 1.21 .0072 .017 .012 -.0026 -.0047 .0039 |
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O2 .1660 .3178 .7197 1.27 .0160 .0077 .0144 .0023 .0024 .0038 |
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D1 .4734 .3593 .8420 2.39 .0206 .0303 .021 .0039 -.0006 .0010 |
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D2 .2587 .8162 .1506 2.4 .028 .021 .0236 .0032 -.0018 .0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wulfingite |
|
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 = 120 K |
|
_database_code_amcsd 0015825 |
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4.88877 5.12854 8.5029 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .0718 .6486 .6241 .41 .0028 .0053 .0041 -.0017 .0007 .0023 |
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O1 .1157 .1249 .0791 .61 .0030 .0090 .0063 -.0001 -.0022 .0032 |
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O2 .1693 .3169 .7211 .54 .0071 .0031 .0060 .0009 .0003 .0016 |
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D1 .4713 .3592 .8422 1.61 .0145 .0206 .0132 .0018 -.0016 .0017 |
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D2 .2560 .8176 .1513 1.59 .0192 .0156 .0130 .0036 -.0025 .0017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wulfingite |
|
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 0015826 |
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4.88626 5.12609 8.5066 90 90 90 P2_12_12_1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn .0717 .6483 .6239 .23 .0011 .0032 .0024 -.0009 .0002 .0012 |
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O1 .1154 .1241 .0793 .41 .0018 .0070 .0035 .0007 -.0009 .0025 |
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O2 .1700 .3171 .7212 .31 .0044 .0013 .0035 .0007 .0013 .0009 |
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D1 .4713 .3592 .8421 1.44 .0137 .0185 .0112 .0020 -.0027 .0002 |
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D2 .2553 .8179 .1515 1.40 .0172 .0123 .0124 .0024 -.0031 .0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Wulfingite |
|
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 0015827 |
|
4.88564 5.12565 8.50702 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) |
|
Zn .0714 .6481 .6239 .19 .0009 .0025 .0022 -.0011 .0007 .0020 |
|
O1 .1155 .1237 .0794 .36 .0017 .0057 .0035 .0007 -.0008 .0021 |
|
O2 .1703 .3170 .7214 .30 .0042 .0012 .0036 .0005 .0010 .0007 |
|
D1 .4709 .3591 .8420 1.43 .0134 .0187 .0110 .0028 -.0020 .0006 |
|
D2 .2555 .8178 .1518 1.35 .0172 .0120 .0124 .0024 -.0027 .0013 |
|
|
| 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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