Ca8.5NaAl6O18
Nishi F, Takeuchi Y
Acta Crystallographica B31 (1975) 1169-1173
The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18
_database_code_amcsd 0017813
10.875 10.859 15.105 90 90 90 Pbca
atom       x       y       z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1   .00268  .00196  .51825  .5 .00129 .00103 .00222  .00020  .00007  .00000
Ca2  -.00394  .01771  .23927     .00204 .00129 .00058  .00036  .00005 -.00002
Ca3   .00928  .26744  .13313     .00163 .00179 .00054  .00020 -.00012  .00041
Ca4   .25648  .27066  .25278     .00451 .00131 .00068  .00051 -.00087  .00012
Ca5   .26267  .24622  .49832 .75 .00256 .00228 .00091  .00002  .00009 -.00006
Na5   .26267  .24622  .49832 .25 .00256 .00228 .00091  .00002  .00009 -.00006
Na         0       0       0  .5 .00359 .00928 .00290 -.00388 -.00170  .00456
Al1  -.00482 -.21407  .11603     .00109 .00093 .00030 -.00021 -.00012 -.00004
Al2   .23755 -.00327  .11292     .00103 .00142 .00080 -.00035  .00000  .00006
Al3   .24208  .00543 -.10861     .00084 .00088 .00033 -.00016 -.00004 -.00036
O1   -.14416 -.13388  .10911     .00265 .00295 .00246  .00138 -.00080 -.00032
O2    .11066 -.10125  .12634     .00350 .00462 .00164 -.00256  .00079 -.00116
O3    .28698 -.02208  .00229     .00214 .00274 .00057 -.00071  .00029  .00027
O4   -.00730 -.28562  .21778     .00794 .00197 .00061  .00061 -.00002 -.00003
O5    .01956 -.29335  .01724     .00525 .00204 .00060 -.00037  .00034 -.00019
O6    .35529 -.07220  .17361     .00248 .00216 .00119  .00025 -.00113 -.00039
O7    .18863  .14794  .13240     .00231 .00267 .00161  .00168 -.00091 -.00029
O8    .16233 -.12774 -.14188     .00252 .00145 .00139 -.00042 -.00004 -.00069
O9    .37170  .06610 -.15970     .00228 .00124 .00117 -.00088  .00012  .00030