Batisite
Schmahl W W, Tillmanns E
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 107-118
Isomorphic substitutions, straight Si-O-Si geometry, and disorder of tetrahedral
tilting in batisite, (Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)Si4O14
Locality: tertiary nephelinite-leucite volcanic rocks, Westeifel, W. Germany
_database_code_amcsd 0014812
10.499 13.913 8.087 90 90 90 Imcm
atom      x      y     z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ba1     .25 .24510     0 .63  .72 .00170 .00096 .00259       0       0       0
K1      .25 .24510     0 .37  .72 .00170 .00096 .00259       0       0       0
K2      .25  .6837    .5 .70 1.78 .00244 .00405 .00438       0       0       0
Na2     .25  .6837    .5 .30 1.78 .00244 .00405 .00438       0       0       0
Na        0      0     0     2.38 .00835 .00411 .00107 .000423       0       0
Ti4+    .25   .471 .2384 .72 1.82 .00139 .00087 .01599       0       0 -.00052
Nb3+    .25   .471 .2384 .06 1.82 .00139 .00087 .01599       0       0 -.00052
Fe2+    .25   .471 .2384 .16 1.82 .00139 .00087 .01599       0       0 -.00052
Zr4+    .25   .471 .2384 .06 1.82 .00139 .00087 .01599       0       0 -.00052
Si   .52520 .35528 .1966      .71 .00147 .00100 .00271 -.00004 -.00007 -.00009
O1    .6172  .0670 .2214     1.11 .00199 .00135 .00542  .00031  .00025 -.00046
O2    .3794  .1356 .2459     1.35 .00150 .00128 .00922 -.00011 -.00060  .00028
O3    .5802    .25   .25      .25 .00203 .00089 .02282       0       0  .00089
O4    .5326  .3569     0      .41 .00770 .01101 .00157 -.00314       0       0
O5      .75  .9580     0      .11 .00344 .00118 .00302       0       0       0
O6      .75  .9718    .5      .17 .00251 .00225 .00872       0       0       0