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Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
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behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
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Sample: T = 5 K |
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7.39675 7.39675 15.8465 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
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Ba .25 .75 0 .5 .0253 |
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Sr .25 .75 0 .5 .0253 |
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Cu .25 .25 .09138 .0459 |
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Si .5123 .9335 .15175 .0257 |
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O1 .4544 .9842 .2459 .0558 |
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O2 .7178 -.0002 .13313 .0555 |
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O3 .3736 .0234 .08813 .0668 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 25 K |
|
7.39640 7.39640 15.8466 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
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Ba .25 .75 0 .5 .0251 |
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Sr .25 .75 0 .5 .0251 |
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Cu .25 .25 .09136 .0469 |
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Si .5122 .9334 .15173 .0254 |
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O1 .4545 .9840 .2459 .0554 |
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O2 .7177 -.0002 .13312 .0541 |
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O3 .3736 .0234 .08812 .0664 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 50 K |
|
7.39601 7.39601 15.8469 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0281 |
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Sr .25 .75 0 .5 .0281 |
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Cu .25 .25 .09149 .0498 |
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Si .5123 .9335 .15179 .0263 |
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O1 .4543 .9842 .2459 .0606 |
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O2 .7178 -.0001 .13316 .0574 |
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O3 .3737 .0234 .08818 .0676 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 100 K |
|
7.39533 7.39533 15.8482 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0378 |
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Sr .25 .75 0 .5 .0378 |
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Cu .25 .25 .09160 .0570 |
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Si .5123 .9336 .15183 .0286 |
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O1 .4539 .9849 .2459 .0661 |
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O2 .7179 .0000 .13326 .0641 |
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O3 .3738 .0236 .08818 .0720 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 150 K |
|
7.39482 7.39482 15.8504 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0483 |
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Sr .25 .75 0 .5 .0483 |
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Cu .25 .25 .0918 .0652 |
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Si .5123 .9335 .15191 .0316 |
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O1 .4538 .9854 .2459 .0816 |
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O2 .7180 .0000 .13343 .0708 |
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O3 .3741 .0239 .08825 .0786 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 200 K |
|
7.39447 7.39447 15.8534 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0576 |
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Sr .25 .75 0 .5 .0576 |
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Cu .25 .25 .0919 .0758 |
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Si .5125 .9337 .15204 .0344 |
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O1 .4532 .9863 .2459 .0970 |
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O2 .7183 -.0002 .13358 .0796 |
|
O3 .3744 .0242 .08828 .0854 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 250 K |
|
7.39428 7.39428 15.8573 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0704 |
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Sr .25 .75 0 .5 .0704 |
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Cu .25 .25 .0921 .0838 |
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Si .5126 .9338 .15210 .0389 |
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O1 .4527 .9870 .2458 .1116 |
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O2 .7186 -.0002 .13377 .0893 |
|
O3 .3747 .0245 .08834 .0930 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Knight K S, Henderson C M B |
| |
European Journal of Mineralogy 19 (2007) 189-200 |
|
Structural basis for the anomalous low-temperature thermal expansion |
|
behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 |
|
Sample: T = 300 K |
|
7.39425 7.39425 15.8621 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0819 |
|
Sr .25 .75 0 .5 .0704 |
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Cu .25 .25 .0923 .0945 |
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Si .5130 .9338 .15226 .0433 |
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O1 .4519 .9877 .2457 .1232 |
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O2 .7188 -.0002 .13392 .1010 |
|
O3 .3750 .0247 .08834 .1041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Effenbergerite |
| |
Chakoumakos B C, Fernandez-Baca J A, Boatner L A |
| |
Journal of Solid State Chemistry 103 (1993) 105-113 |
|
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) |
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by Rietveld analysis of neutron powder diffraction data |
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Note: gillespite structure |
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Locality: synthetic |
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7.4409 7.4409 16.1367 90 90 90 *P4/ncc |
|
.25 -.25 0 |
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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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Ba .25 .75 0 .008 .010 .010 .005 0 0 0 |
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Cu .25 .25 .0946 .007 .005 .005 .010 0 0 0 |
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Si .5186 .9389 .1549 .007 .006 .008 .008 .000 .002 .001 |
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O1 .4742 .9742 .25 .027 .036 .036 .010 -.007 .013 -.013 |
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O2 .7242 .9988 .1367 .012 .000 .018 .018 -.0022 -.0007 .008 |
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O3 .3872 .0316 .0902 .014 .012 .005 .026 .0059 -.012 -.003 |
|
|
| 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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