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PdBr2(C7H8N4)2CH3OH |
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Hage R, de Graaff R A G, Haasnoot J G, Kieler K, Reedijk J |
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Acta Crystallographica C46 (1990) 2349-2351 |
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Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a] |
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pyrimidine)-palladium(II) methanol solvate |
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_database_code_amcsd 0010240 |
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9.153 8.858 8.317 123.54 92.25 109.31 P-1 |
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atom x y z Biso |
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Pd 0 0 0 2.54 |
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Br1 .0534 -.0046 -.2848 4.04 |
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N1 .4639 .0971 .2294 3.4 |
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C2 .3058 .0045 .1549 3.5 |
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N3 .2369 .0985 .1172 2.95 |
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N4 .3566 .4213 .1826 2.79 |
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N8 .4975 .2687 .2448 2.66 |
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C5 .4990 .5766 .2568 3.0 |
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C6 .6449 .5781 .3239 3.2 |
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C7 .6458 .4258 .3211 3.1 |
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C9 .3583 .2708 .1788 25.2 |
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C51 .5001 .7497 .2675 3.9 |
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C71 .7888 .4113 .3935 4.3 |
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O1 -.019 .492 -.080 14.9 |
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C10 .122 .536 .004 7.3 |
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Baghdadite |
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Plaisier J R, Jansen J, de Graaff R A G, Ijdo D J W |
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Journal of Solid State Chemistry 115 (1995) 464-468 |
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Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction |
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Locality: synthetic |
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_database_code_amcsd 0013849 |
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7.3603 10.1766 10.4514 90 90.875 90 P2_1/c |
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atom x y z Biso |
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Ca1 .6247 .8070 .5994 .71 |
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Ca2 .1198 .8256 .5884 .71 |
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Ca3 .6301 .4193 .6155 .71 |
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Zr .1245 .0629 .1148 .71 |
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Si1 .8340 .6240 .8189 .71 |
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Si2 .4000 .6350 .8074 .71 |
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O1 .6176 .6058 .7757 .71 |
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O2 .0825 -.0033 .7541 .71 |
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O3 .1391 .3794 .0310 .71 |
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O4 .1069 .2634 .7432 .71 |
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O5 .3557 .7356 .2253 .71 |
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O6 .3119 .4990 .7603 .71 |
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O7 .3791 .6636 .9566 .71 |
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O8 .0976 .6113 .5056 .71 |
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O9 .6596 -.1090 -.0117 .71 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Ca3HfSi2O9 |
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Plaisier J R, Jansen J, de Graaff R A G, Ijdo D J W |
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Journal of Solid State Chemistry 115 (1995) 464-468 |
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Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction |
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Locality: synthetic |
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_database_code_amcsd 0013850 |
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7.3517 10.1489 10.4319 90 91.084 90 P2_1/c |
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atom x y z Biso |
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Ca1 .632 .8114 .5933 .4 |
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Ca2 .122 .8306 .5828 .4 |
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Ca3 .626 .4192 .6144 .4 |
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Hf .1216 .0633 .1165 .4 |
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Si1 .831 .6215 .826 .4 |
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Si2 .413 .636 .819 .4 |
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O1 .609 .615 .777 .4 |
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O2 .069 .005 .737 .4 |
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O3 .117 .394 .013 .4 |
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O4 .116 .251 .747 .4 |
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O5 .332 .736 .223 .4 |
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O6 .306 .505 .779 .4 |
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O7 .375 .672 .959 .4 |
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O8 .122 .622 .520 .4 |
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O9 .661 -.094 -.022 .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
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| |
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