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American Mineralogist Crystal Structure Database

1 matching records for this search.

Sodalite
Download hom/sodalite.pdf 
Han S, Smith J V, Pluth J J, Richardson J W
European Journal of Mineralogy 2 (1990) 787-798
Crystal structure of MAPO-20 sodalite: theoretical analysis
of three-color ordering of Mg, Al and P in a sodalite unit
Sample: X-ray refinement Pm3n
_database_code_amcsd 0006394
9.0437 9.0437 9.0437 90 90 90 Pm3n
atom       x       y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P        .25      .5       0 .0310  .0126  .0402  .0402      0      0      0
Al       .25       0      .5 .0252  .0193  .0282  .0282      0      0      0
O          0   .6562   .6353 .0904  .1650  .0516  .0550      0      0  .0152
N          0       0       0  .032
C1    .03876  .11358  .11127  .038
H1   -.04132  .18970  .11568  .038
H2    .13407  .16194  .08290  .038
H3    .04973  .06583  .21039  .038
C2   -.14105 -.07158  .04198  .038
H4   -.22113  .00454  .04639  .038
H5   -.13008 -.11933  .14110  .038
H6   -.16724 -.14832 -.03323  .038
C3    .11851 -.11265 -.00652  .038
H7    .12948 -.16040  .09260  .038
H8    .21382 -.06428 -.03489  .038
H9    .09232 -.18939 -.08170  .038
C4   -.01623  .07066 -.14671  .038
H10  -.09631  .14678 -.14230  .038
H11  -.04242 -.00608 -.22188  .038
H12   .07907  .11902 -.17507  .038


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	Total number of retrieved datasets: 1

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