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Hexahydroborite |
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Sedlacek P, Dornberger-Schiff K |
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Acta Crystallographica B27 (1971) 1532-1541 |
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An OD-Disordered modification of the calcium monoborate dihydrate |
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Ca[B(OH)4]2*2H2O |
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Locality: synthetic |
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Sample: MDO (1) |
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_database_code_amcsd 0009397 |
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16.07999 6.69 7.95 90 104.9 90 C2/c |
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atom x y z |
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Ca 0 -.029 .25 |
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B .091 .271 .065 |
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OH1 -.003 .221 .033 |
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OH2 .133 .128 .202 |
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OH3 .113 .246 -.099 |
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OH4 .109 .477 .124 |
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Wat5 .213 .210 .553 |
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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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Hexahydroborite |
|
Sedlacek P, Dornberger-Schiff K |
|
Acta Crystallographica B27 (1971) 1532-1541 |
|
An OD-Disordered modification of the calcium monoborate dihydrate |
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Ca[B(OH)4]2*2H2O |
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Locality: synthetic |
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Sample: MDO (2) |
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_database_code_amcsd 0009398 |
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8.04 6.69 7.95 90 104.9 90 P2/c |
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atom x y z |
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Ca 0 -.030 .25 |
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B .182 .264 .070 |
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OH1 -.008 .226 .035 |
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OH2 .266 .126 .198 |
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OH3 .224 .247 -.097 |
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OH4 .216 .477 .126 |
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Wat5 .426 .208 .549 |
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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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Hexahydroborite |
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Simonov M A, Yamnova N A, Kazanskaya E V, Egorov-Tismenko Y K, Belov N V |
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Doklady Akademii Nauk SSSR 228 (1976) 1337-1340 |
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Crystal structure of Ca(B(OH)4)2(H2O)2 |
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Note: Data is transformed from 1st setting to 2nd setting |
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_database_code_amcsd 0012453 |
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8.006 6.649 8.012 90 104.21 90 P2/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .75 -.0314 0 .86 .00327 .00486 .00431 0 .0011 0 |
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B .9313 -.7292 .8188 .97 .00352 .00458 .00468 .0007 -.0002 .0001 |
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O1 .8698 -.5229 .7785 1.45 .00618 .00514 .00775 .0000 .0015 .0002 |
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O2 .9665 -.7774 .0076 1.24 .00610 .00689 .00418 -.0017 .0009 .0000 |
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O3 .0982 -.7510 .7756 1.23 .00365 .00808 .00596 -.0013 .0008 .0013 |
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O4 .8073 -.8829 .7344 1.25 .00506 .00650 .00530 -.0022 .0000 -.0010 |
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O5 .9564 -.2111 .5788 1.88 .00809 .01283 .00613 .0005 .0013 .0012 |
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H1 .293 -.149 .339 8.3 |
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H2 .420 -.767 .344 5.4 |
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H3 .011 -.678 .081 6.2 |
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H4 .068 -.674 .379 8.3 |
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H5 .103 -.886 .381 8.2 |
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H6 .235 -.510 .216 4.4 |
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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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Hexahydroborite |
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Ozol Y, Vimba S, Ievins A |
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Soviet Physics 9 (1964) 22-25 |
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The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O |
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Locality: synthetic |
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_database_code_amcsd 0015534 |
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7.9997 6.7260 7.9693 90 103.80 90 P2/c |
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atom x y z |
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Ca 0 -.025 .25 |
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B .183 .275 .067 |
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OH1 0 .217 .021 |
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OH2 .267 .117 .188 |
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OH3 .233 .267 -.104 |
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OH4 .217 .479 .133 |
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Wat5 .425 .192 .558 |
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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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