Fluor-buergerite
Barton R
Acta Crystallographica B25 (1969) 1524-1533
Refinement of the crystal structure of buergerite and the absolute
orientation of tourmalines
Locality: Mexquitic, San Luis Potosi, Mexico
_database_code_amcsd 0018672
15.869 15.869 7.188 90 90 120 R3m
atom      x      y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
NaX       0      0 .21338 2.328 .00302 .00302 .01172 .00151       0       0
FeY  .13320 .06660 .62072  .848 .00072 .00072 .00544 .00003  .00087 -.00087
AlZ  .29880 .25887 .60437  .587 .00064 .00086 .00286 .00034 -.00007  .00035
SiT  .19156 .19065      0  .306 .00040 .00038 .00152 .00018  .00003 -.00008
B1   .10992 .21984 .45182  .467 .00062 .00062 .00263 .00038  .00005 -.00005
O1   .06056 .12112 .48607  .789 .00103 .00103 .00516 .00077  .00009 -.00009
O2   .26450 .13225 .52094  .756 .00082 .00082 .00367 .00014  .00008 -.00008
O3   .09478 .18956 .07532  .741 .00093 .00093 .00330 .00033 -.00005  .00005
O4   .18258 .09129 .08388  .785 .00095 .00095 .00330 .00024 -.00012  .00012
O5   .19314 .18680 .77481  .622 .00088 .00073 .00274 .00032  .00005 -.00002
O6    .2867  .2858 .07445  .573 .00081 .00069 .00237 .00028 -.00017 -.00023
O7   .20894 .26941 .43778  .628 .00062 .00087 .00381 .00040 -.00001  .00023
FW        0      0 .76698 2.130 .00378 .00378 .00328 .00189       0       0