Faujasite-Ca
Pluth J J, Smith J V
Materials Research Bulletin 7 (1972) 1311-1322
Positions of cations and molecules in zeolites with the faujasite-type
framework VII. Dehydrated Ca-exchanged X
Locality: synthetic
Note: dehydrated under vacuum at 500 C, measured at room temperature
_database_code_amcsd 0014223
24.9686 24.9686 24.9686 90 90 90 *Fd-3m
.125 .125 .125
atom       x       y       z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1        0       0       0 .831 1.32 .00054 .00054 .00054  .00010  .00010  .00010
Ca1'  .05897  .05897  .05897 .156 2.32 .00210 .00210 .00210  .00005  .00005  .00005
Ca2   .22366  .22366  .22366 .781 3.11 .00138 .00138 .00138  .00067  .00067  .00067
SiT   .12277 -.05542  .03506   .6 1.01 .00041 .00054 .00042 -.00000 -.00011  .00000
AlT   .12277 -.05542  .03506   .4 1.01 .00041 .00054 .00042 -.00000 -.00011  .00000
O1   -.10974       0  .10974      1.86 .00070 .00081 .00070 -.00007  .00007 -.00007
O2    .25330  .25330  .14167      1.67 .00068 .00068 .00073  .00009  .00012  .00012
O3    .18469  .18469 -.03598      1.69 .00075 .00075 .00073  .00010 -.00014 -.00014
O4    .17266  .17266  .31077      2.34 .00099 .00099 .00101  .00043 -.00024 -.00024