Jorgensenite
Hawthorne F C, Burns P C
The Canadian Mineralogist 35 (1997) 1509-1513
The crystal structure of jorgensenite
_database_code_amcsd 0005533
16.059 10.974 7.277 90 101.70 90 C2/m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SrX1     0     0     0       .031   .039   .033      0   .004      0
SrX2 .2615     0 .1291  .4   .034   .032   .034      0   .008      0
BaX2 .2615     0 .1291  .6   .034   .032   .034      0   .008      0
SrX3 .3513 .1947 .6952       .033   .036   .032   .001   .006   .000
Al1  .1631     0 .5408       .031   .029   .025      0   .005      0
Al2  .1080 .2430 .7973       .031   .028   .027   .000   .007   .000
Na1      0    .5     0       .032   .042   .025      0   .000      0
Na2      0    .5    .5       .029   .037   .026      0   .010      0
OH1  .4225     0 .7158       .028   .022   .020      0   .001      0
F2   .2429     0 .7533       .044   .049   .022      0   .002      0
F3   .0951     0 .3136       .035   .056   .025      0  -.001      0
F4   .1151 .3660 .9670       .044   .037   .026   .002   .006  -.005
F5   .2265 .1163 .4512       .036   .033   .035  -.004   .008   .003
F6   .2202 .2535 .8104       .033   .040   .032   .000   .008  -.001
F7   .0025 .2282 .2101       .032   .050   .039  -.006   .008  -.001
F8   .0946 .3556 .6135       .052   .049   .034   .007   .012   .012
F9   .0998 .1182 .6225       .045   .048   .056  -.001   .009  -.021
F10  .1260 .1352 .9910       .040   .034   .033   .000   .006   .008