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Wulfingite |
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Stahl R, Jung C, Lutz H D, Kockelmann W, Jacobs H |
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Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1130-1136 |
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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 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 |
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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 (permalink) |
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Wulfingite |
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Jacobs H, Niemann A, Kockelmann W |
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Zeitschrift fur Anorganische und Allgemeine Chemie 631 (2005) 1247-1254 |
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Low temperature investigations of hydrogen bridge bonds in the hydroxides |
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beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction |
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Locality: synthetic |
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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 |
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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 (permalink) |
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Wulfingite |
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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 |
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beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction |
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Locality: synthetic |
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Sample: T = 120 K |
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_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 |
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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 (permalink) |
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Wulfingite |
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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 |
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Locality: synthetic |
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Sample: T = 50 K |
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_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 |
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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 (permalink) |
| |
|
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 |
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Locality: synthetic |
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Sample: T = 5 K |
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_database_code_amcsd 0015827 |
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4.88564 5.12565 8.50702 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 .0714 .6481 .6239 .19 .0009 .0025 .0022 -.0011 .0007 .0020 |
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O1 .1155 .1237 .0794 .36 .0017 .0057 .0035 .0007 -.0008 .0021 |
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O2 .1703 .3170 .7214 .30 .0042 .0012 .0036 .0005 .0010 .0007 |
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D1 .4709 .3591 .8420 1.43 .0134 .0187 .0110 .0028 -.0020 .0006 |
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D2 .2555 .8178 .1518 1.35 .0172 .0120 .0124 .0024 -.0027 .0013 |
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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 (permalink) |
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