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Wesselsite |
| |
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 |
|
_database_code_amcsd 0007207 |
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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 |
|
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 .5 .0558 |
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O2 .7178 -.0002 .13313 .0555 |
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O3 .3736 .0234 .08813 .0668 |
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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) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007208 |
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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 |
|
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 .5 .0554 |
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O2 .7177 -.0002 .13312 .0541 |
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O3 .3736 .0234 .08812 .0664 |
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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) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007209 |
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7.39601 7.39601 15.8469 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 .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 .5 .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 (permalink) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007210 |
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7.39533 7.39533 15.8482 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 .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 .5 .0661 |
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O2 .7179 .0000 .13326 .0641 |
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O3 .3738 .0236 .08818 .0720 |
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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) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007211 |
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7.39482 7.39482 15.8504 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 .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 .5 .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 (permalink) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007212 |
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7.39447 7.39447 15.8534 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 .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 .5 .0970 |
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O2 .7183 -.0002 .13358 .0796 |
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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 (permalink) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007213 |
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7.39428 7.39428 15.8573 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 .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 .5 .1116 |
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O2 .7186 -.0002 .13377 .0893 |
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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 (permalink) |
| |
|
Wesselsite |
| |
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 |
|
_database_code_amcsd 0007214 |
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7.39425 7.39425 15.8621 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0819 |
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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 .5 .1232 |
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O2 .7188 -.0002 .13392 .1010 |
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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 (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
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Locality: synthetic |
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Sample: x = 0.000 |
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_database_code_amcsd 0018767 |
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7.36657 7.36657 15.5844 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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Sr .25 .75 0 .068 |
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Cu .25 .25 .0885 .080 |
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Si .5082 .9303 .1507 .023 |
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O1 .4519 .9811 .2469 .5 .070 |
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O2 .7148 .0013 .1310 .075 |
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O3 .3668 .0188 .0863 .072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
|
Locality: synthetic |
|
Sample: x = .105 |
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_database_code_amcsd 0018768 |
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7.36858 7.36858 15.6346 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
|
Ba .25 .75 0 .105 .062 |
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Sr .25 .75 0 .895 .062 |
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Cu .25 .25 .0893 .076 |
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Si .5089 .9309 .1510 .028 |
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O1 .4512 .9829 .2463 .5 .077 |
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O2 .7155 .0012 .1317 .083 |
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O3 .3684 .0199 .0868 .084 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
|
Locality: synthetic |
|
Sample: x = .193 |
|
_database_code_amcsd 0018769 |
|
7.3752 7.3752 15.6902 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 .193 .066 |
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Sr .25 .75 0 .807 .066 |
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Cu .25 .25 .0906 .091 |
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Si .5093 .9317 .1511 .028 |
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O1 .4511 .9850 .2460 .5 .063 |
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O2 .7164 .0011 .1324 .076 |
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O3 .3703 .0213 .0873 .081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
|
Locality: synthetic |
|
Sample: x = .276 |
|
_database_code_amcsd 0018770 |
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7.37735 7.37735 15.7266 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 .276 .048 |
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Sr .25 .75 0 .724 .048 |
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Cu .25 .25 .0908 .084 |
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Si .5097 .9321 .1515 .062 |
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O1 .4503 .9853 .2454 .5 .110 |
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O2 .7167 .0012 .1328 .099 |
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O3 .3712 .0219 .0876 .097 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
|
Locality: synthetic |
|
Sample: x = .402 |
|
_database_code_amcsd 0018771 |
|
7.38801 7.38801 15.8265 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .402 .072 |
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Sr .25 .75 0 .598 .072 |
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Cu .25 .25 .0919 .086 |
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Si .5116 .9333 .1521 .047 |
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O1 .4515 .9867 .2455 .5 .116 |
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O2 .7177 .0004 .1337 .100 |
|
O3 .3736 .0230 .0883 .110 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
Knight K S, Henderson C M B, Clark S M |
| |
European Journal of Mineralogy 22 (2010) 411-423 |
|
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) |
|
solid solution |
|
Locality: synthetic |
|
Sample: x = .492 |
|
_database_code_amcsd 0018772 |
|
7.38813 7.38813 15.8516 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .492 .085 |
|
Sr .25 .75 0 .508 .085 |
|
Cu .25 .25 .0923 .091 |
|
Si .5126 .9342 .1522 .044 |
|
O1 .4522 .9875 .2456 .5 .113 |
|
O2 .7187 .0003 .1341 .094 |
|
O3 .3753 .0242 .0885 .102 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Wesselsite |
| |
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) |
|
by Rietveld analysis of neutron powder diffraction data |
|
Note: gillespite structure |
|
Locality: synthetic |
|
_database_code_amcsd 0013766 |
|
7.3707 7.3707 15.5904 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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Sr .25 .75 0 .009 .007 .007 .011 0 0 0 |
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Cu .25 .25 .0883 .006 .0045 .0045 .010 0 0 0 |
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Si .5088 .9308 .1511 .006 .003 .004 .012 .000 .003 .000 |
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O1 .4664 .9664 .25 .020 .027 .027 .006 -.004 .011 -.011 |
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O2 .7137 .0008 .1311 .011 .0025 .013 .017 -.0029 .0011 .0054 |
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O3 .3667 .0169 .0865 .012 .0078 .0043 .025 .0023 -.008 -.003 |
|
|
| 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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