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Wadeite |
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Swanson D K, Prewitt C T |
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American Mineralogist 68 (1983) 581-585 |
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The crystal structure of K2SiSi3O9 |
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Note: B(1,2) for K and Si1 have been changed to match symmetry constraints |
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6.612 6.612 9.510 90 90 120 P6_3/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 1/3 2/3 .05778 0.01414 0.01414 0.00261 0.00707 0 0 |
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Si1 0 0 0 0.00448 0.00448 0.00069 0.00224 0 0 |
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Si2 .36532 .23343 .25 0.00216 0.00265 0.00094 0.00121 0 0 |
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O1 .49150 .07339 .25 0.00306 0.00399 0.00286 0.00219 0 0 |
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O2 .23203 .20907 .10611 0.00521 0.00481 0.00140 0.00231 -.00141 -.00082 |
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| Download AMC data (View Text File)
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Wadeite |
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Xu H, Navrotsky A, Balmer M L, Su Y |
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Physics and Chemistry of Minerals 32 (2005) 426-435 |
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Crystal-chemical and energetic systematics of wadeite-type phases |
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A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) |
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6.9360 6.9360 10.1822 90 90 120 P6_3/m |
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atom x y z Uiso |
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KA 1/3 2/3 .0584 .0198 |
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ZrB 0 0 0 .0070 |
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Si .3892 .2584 .25 .0058 |
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O1 .4880 .0900 .25 .0112 |
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O2 .2585 .2429 .1177 .0112 |
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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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