|
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 = 5 K |
|
_database_code_amcsd 0007199 |
|
7.39675 7.39675 15.8465 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0253 |
|
Sr .25 .75 0 .5 .0253 |
|
Cu .25 .25 .09138 .0459 |
|
Si .5123 .9335 .15175 .0257 |
|
O1 .4544 .9842 .2459 .5 .0558 |
|
O2 .7178 -.0002 .13313 .0555 |
|
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 (permalink) |
| |
|
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 |
|
_database_code_amcsd 0007200 |
|
7.39640 7.39640 15.8466 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .5 .0251 |
|
Sr .25 .75 0 .5 .0251 |
|
Cu .25 .25 .09136 .0469 |
|
Si .5122 .9334 .15173 .0254 |
|
O1 .4545 .9840 .2459 .5 .0554 |
|
O2 .7177 -.0002 .13312 .0541 |
|
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 (permalink) |
| |
|
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 |
|
_database_code_amcsd 0007201 |
|
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 |
|
Sr .25 .75 0 .5 .0281 |
|
Cu .25 .25 .09149 .0498 |
|
Si .5123 .9335 .15179 .0263 |
|
O1 .4543 .9842 .2459 .5 .0606 |
|
O2 .7178 -.0001 .13316 .0574 |
|
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) |
| |
|
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 |
|
_database_code_amcsd 0007202 |
|
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 |
|
Sr .25 .75 0 .5 .0378 |
|
Cu .25 .25 .09160 .0570 |
|
Si .5123 .9336 .15183 .0286 |
|
O1 .4539 .9849 .2459 .5 .0661 |
|
O2 .7179 .0000 .13326 .0641 |
|
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 (permalink) |
| |
|
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 |
|
_database_code_amcsd 0007203 |
|
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 |
|
Sr .25 .75 0 .5 .0483 |
|
Cu .25 .25 .0918 .0652 |
|
Si .5123 .9335 .15191 .0316 |
|
O1 .4538 .9854 .2459 .5 .0816 |
|
O2 .7180 .0000 .13343 .0708 |
|
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) |
| |
|
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 |
|
_database_code_amcsd 0007204 |
|
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 |
|
Sr .25 .75 0 .5 .0576 |
|
Cu .25 .25 .0919 .0758 |
|
Si .5125 .9337 .15204 .0344 |
|
O1 .4532 .9863 .2459 .5 .0970 |
|
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 (permalink) |
| |
|
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 |
|
_database_code_amcsd 0007205 |
|
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 |
|
Sr .25 .75 0 .5 .0704 |
|
Cu .25 .25 .0921 .0838 |
|
Si .5126 .9338 .15210 .0389 |
|
O1 .4527 .9870 .2458 .5 .1116 |
|
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 (permalink) |
| |
|
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 |
|
_database_code_amcsd 0007206 |
|
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 |
|
Cu .25 .25 .0923 .0945 |
|
Si .5130 .9338 .15226 .0433 |
|
O1 .4519 .9877 .2457 .5 .1232 |
|
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 (permalink) |
| |
|
Effenbergerite |
| |
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 = .636 |
|
_database_code_amcsd 0018773 |
|
7.4030 7.4030 15.9357 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .636 .109 |
|
Sr .25 .75 0 .364 .109 |
|
Cu .25 .25 .0937 .114 |
|
Si .5134 .9355 .1526 .040 |
|
O1 .4530 .9899 .2455 .5 .076 |
|
O2 .7203 .0007 .1351 .073 |
|
O3 .3781 .0258 .0890 .100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Effenbergerite |
| |
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 = .821 |
|
_database_code_amcsd 0018774 |
|
7.41932 7.41932 16.0402 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .821 .126 |
|
Sr .25 .75 0 .179 .126 |
|
Cu .25 .25 .0942 .106 |
|
Si .5156 .9374 .1534 .045 |
|
O1 .4546 .9921 .2454 .5 .070 |
|
O2 .7228 .0003 .1361 .082 |
|
O3 .3824 .0287 .0897 .109 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Effenbergerite |
| |
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 = 1.000 |
|
_database_code_amcsd 0018775 |
|
7.43602 7.43602 16.1302 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
Ba .25 .75 0 .118 |
|
Cu .25 .25 .0949 .095 |
|
Si .5177 .9390 .1539 .041 |
|
O1 .4573 .9934 .2452 .5 .056 |
|
O2 .7247 .0000 .1367 .086 |
|
O3 .3866 .0314 .0903 .109 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Effenbergerite |
| |
Lin H C, Liao F L, Wang S L |
 |
Acta Crystallographica C48 (1992) 1297-1299 |
|
Structure of BaCuSi4O10 |
|
Locality: synthetic |
|
_database_code_amcsd 0018737 |
|
7.440 7.440 16.097 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Uiso |
|
Cu .75 .75 -.0944 .009 |
|
Ba .75 .25 0 .012 |
|
Si .9822 -.0618 .1543 .009 |
|
O1 .7763 -.0007 .1365 .016 |
|
O2 .0247 -.0247 .25 .031 |
|
O3 .4688 .1130 .0909 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Effenbergerite |
| |
Janczak J, Kubiak R |
|
Acta Crystallographica C48 (1992) 1299-1301 |
|
Refinement of the structure of barium copper silicate BaCu[Si4O10] at 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0018736 |
|
7.447 7.447 16.138 90 90 90 P4/ncc |
|
atom x y z Uiso |
|
Ba 0 0 0 .0100 |
|
Cu 0 .5 .0944 .0077 |
|
Si .2681 .1887 .1546 .0073 |
|
O1 .2261 .2261 .25 .0310 |
|
O2 .4736 .2484 .1366 .0160 |
|
O3 .1367 .2818 .0980 .0157 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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) |
|
by Rietveld analysis of neutron powder diffraction data |
|
Note: gillespite structure |
|
Locality: synthetic |
|
_database_code_amcsd 0013767 |
|
7.4409 7.4409 16.1367 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .25 .75 0 .008 .010 .010 .005 0 0 0 |
|
Cu .25 .25 .0946 .007 .005 .005 .010 0 0 0 |
|
Si .5186 .9389 .1549 .007 .006 .008 .008 .000 .002 .001 |
|
O1 .4742 .9742 .25 .027 .036 .036 .010 -.007 .013 -.013 |
|
O2 .7242 .9988 .1367 .012 .000 .018 .018 -.0022 -.0007 .008 |
|
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 (permalink) |
| |
|
Effenbergerite |
| |
Giester G, Rieck B |
 |
Mineralogical Magazine 58 (1994) 663-670 |
|
Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, |
|
South Africa: description and crystal structure |
|
Locality: Wessels mine, Kalahari Manganese Field, South Africa |
|
_database_code_amcsd 0018763 |
|
7.442 7.442 16.133 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .25 .25 .09448 .0101 .0078 .0078 .0146 0 0 0 |
|
Ba .25 .75 0 .0135 .0154 .0154 .0098 0 0 0 |
|
Si .51860 .93877 .15462 .0096 .0088 .0091 .0109 -.0012 .0010 -.0001 |
|
O1 .4758 .9758 .25 .0331 .0403 .0403 .0188 -.0131 .0131 -.0093 |
|
O2 .7244 .9991 .1364 .0192 .0100 .0264 .0212 .0058 -.0007 -.0016 |
|
O3 .3877 .0311 .0903 .0192 .0181 .0115 .0300 -.0025 -.0096 .0056 |
|
|
| 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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