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Sodalite |
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Han S, Smith J V, Pluth J J, Richardson J W |
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European Journal of Mineralogy 2 (1990) 787-798 |
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Crystal structure of MAPO-20 sodalite: theoretical analysis |
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of three-color ordering of Mg, Al and P in a sodalite unit |
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Sample: X-ray refinement Pm3n |
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_database_code_amcsd 0006394 |
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9.0437 9.0437 9.0437 90 90 90 Pm3n |
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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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P .25 .5 0 .0310 .0126 .0402 .0402 0 0 0 |
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Al .25 0 .5 .0252 .0193 .0282 .0282 0 0 0 |
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O 0 .6562 .6353 .0904 .1650 .0516 .0550 0 0 .0152 |
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N 0 0 0 .032 |
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C1 .03876 .11358 .11127 .038 |
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H1 -.04132 .18970 .11568 .038 |
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H2 .13407 .16194 .08290 .038 |
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H3 .04973 .06583 .21039 .038 |
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C2 -.14105 -.07158 .04198 .038 |
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H4 -.22113 .00454 .04639 .038 |
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H5 -.13008 -.11933 .14110 .038 |
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H6 -.16724 -.14832 -.03323 .038 |
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C3 .11851 -.11265 -.00652 .038 |
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H7 .12948 -.16040 .09260 .038 |
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H8 .21382 -.06428 -.03489 .038 |
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H9 .09232 -.18939 -.08170 .038 |
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C4 -.01623 .07066 -.14671 .038 |
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H10 -.09631 .14678 -.14230 .038 |
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H11 -.04242 -.00608 -.22188 .038 |
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H12 .07907 .11902 -.17507 .038 |
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View JMOL 3-D Structure (permalink) |
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