Joaquinite-(Ce)
Dowty E
American Mineralogist 60 (1975) 872-878
Crystal structure of joaquinite
_database_code_amcsd 0000469
10.516 9.686 11.833 90 109.67 90 C2
atom     x     y     z occ Biso B(1,1) B(2,2)  B(3,3) B(1,2) B(1,3)  B(2,3)
Ba   .2366     0 .0058           .0027  .0025  .00135  .0006 .00022 -.00021
Ce   .1667 .7467 .4518           .0020  .0061  .00060  .0003 .00004  -.0008
Ti   .0490 .7369 .1276           .0012  .0010  .00030  .0000  .0000   .0001
Fe1      0 .3694    .5 .79       .0021  .0016  .00070      0  .0002       0
Na1      0 .3694    .5 .21       .0021  .0016  .00070      0  .0002       0
Fe2      0 .0540    .5 .25       .0074  .0315  .00730      0  .0044       0
Na2      0 .0540    .5 .75       .0074  .0315  .00730      0  .0044       0
Si1  .3773 .7343 .2426           .0017  .0018  .00100  .0001  .0001   .0002
Si2  .3085 .2674 .2432           .0026  .0032  .00100 -.0007  .0005  -.0009
Si3  .1206 .0375 .2917           .0029  .0022  .00070  .0000  .0004   .0000
Si4  .0929 .4365 .2709           .0026  .0007  .00140  .0000  .0004   .0000
O1       0 .8670     0       .6
O2       0 .6060     0       .8
O3   .1160 .8810 .2510      1.2
O4   .1880 .3850 .1910       .9
O5   .2260 .1150 .2370      1.3
O6   .2330 .7150 .1330       .7
O7   .4720 .6050 .2290      1.6
O8   .0860 .6040 .2680      1.0
O9   .3710 .7370  .375      1.0
O10  .4120 .3030 .3720      1.5
O11  .1440 .3680 .4030      1.4
O12  .1730 .0440 .4430      1.7
O13  .3670 .2540 .1330       .8
O14  .4390 .8800 .2030      1.7
OH       0  .576    .5      5.0
Wat      0  .199     0      2.6