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Shcherbinaite |
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Shklover V, Haibach T, Ried F, Nesper R, Novak P |
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Journal of Solid State Chemistry 123 (1996) 317-323 |
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Crystal structure of the product of Mg2+ insertion into V2O5 single crystals |
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Locality: synthetic |
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Sample: I |
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_database_code_amcsd 0013889 |
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11.544 4.383 3.574 90 90 90 Pmn2_1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V .1487 .3924 0 .014 .004 .023 .016 -.001 .000 .006 |
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Mg .5 .077 -.001 .01 .032 |
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O1 .1461 .0324 -.0009 .024 .021 .021 .030 -.002 .009 .023 |
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O2 .3193 .5056 -.0032 .018 .007 .033 .015 -.003 .004 -.023 |
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O3 0 .5017 -.0033 .018 .008 .028 .019 0 0 .011 |
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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
|
| |
|
Shcherbinaite |
|
Shklover V, Haibach T, Ried F, Nesper R, Novak P |
| |
Journal of Solid State Chemistry 123 (1996) 317-323 |
|
Crystal structure of the product of Mg2+ insertion into V2O5 single crystals |
|
Locality: synthetic |
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Sample: IIa |
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_database_code_amcsd 0013890 |
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11.544 4.383 3.571 90 90 90 Pmn2_1 |
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atom x y z Uiso |
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V .1487 .3913 0 .0075 |
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O1 .1457 .0303 .0295 .0141 |
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O2 .3191 .5027 .0049 .0095 |
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O3 0 .4995 .0025 .0127 |
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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
|
| |
|
Shcherbinaite |
|
Shklover V, Haibach T, Ried F, Nesper R, Novak P |
| |
Journal of Solid State Chemistry 123 (1996) 317-323 |
|
Crystal structure of the product of Mg2+ insertion into V2O5 single crystals |
|
Locality: synthetic |
|
Sample: IIb |
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_database_code_amcsd 0013891 |
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11.544 3.571 4.383 90 90 90 *Pmmn |
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-.25 -.25 0 |
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atom x y z Uiso |
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V .60123 .25 .1086 .0075 |
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O1 .4309 .25 -.0028 .0099 |
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O2 .6045 .25 .4697 .0174 |
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O3 .75 .25 .0008 .0127 |
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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
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Abhurite |
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Schnering H G, Nesper R, Pelshenke H |
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Zeitschrift fur Naturforschung B36 (1981) 1551-1560 |
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Sn21Cl16(OH)14O6, das sogenannte basische zinn(II)-clorid |
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Locality: synthetic |
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_database_code_amcsd 0015835 |
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10.018 10.018 44.03 90 90 120 R32 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sn1 0 0 .3031 .0145 .0195 .0195 .0085 .00975 0 0 |
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Sn2 0 0 .0686 .0151 .0226 .0226 .0064 .0113 0 0 |
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Sn3 0 0 .5911 .0151 .0200 .0200 .0086 .0100 0 0 |
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Sn4 .7334 0 0 .0260 .0151 .0183 .0420 .00755 -.0014 -.0028 |
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Sn5 .5926 .6688 .9050 .0155 .0120 .0189 .0185 .0076 -.0008 .0017 |
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Sn6 .2223 .1840 .8696 .0222 .0252 .0190 .0226 .0099 .0109 .0100 |
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Cl1 0 0 .5 .0336 .0430 .0430 .0142 .0215 0 0 |
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Cl2 .368 0 .5 .0225 .0248 .0298 .0186 .0149 .0064 .0128 |
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Cl3 .332 .004 .9595 .0160 .0118 .0109 .0170 .0041 -.0025 .0007 |
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Cl4 .328 .330 .9340 .0201 .0165 .0177 .0235 .0101 -.0063 -.0073 |
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O1 0 0 .1550 .0231 |
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O2 .170 .020 .1031 .0233 |
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O3 .833 .331 .8924 .0163 |
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O4 .167 .661 .0005 .0215 |
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H1 0 0 .19 .04 |
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H2 .82 .45 .98 .04 |
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H3 .84 .40 .87 .04 |
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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
|
| |
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