Danburite
Sugiyama K, Takeuchi Y
Zeitschrift fur Kristallographie 173 (1985) 293-304
Unusual thermal expansion of a B-O bond in the structure of danburite CaB2Si2O8
Locality: Toroku mine, Miyazaki Prefecture, Japan
Note: AnisoB's from ICSD
Sample: T = 25 C
_database_code_amcsd 0010946
8.037 8.757 7.7218 90 90 90 Pnam
atom      x      y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca   .38555 .07648     .25 .514 .00231 .00156 .00195  .00006       0       0
B     .2589  .4192   .4206 .426 .00175 .00149 .00153 -.00005 -.00002 -.00006
Si   .05333 .19250 -.05574 .295 .00134 .00092 .00107 -.00002  .00002 -.00004
O1   .19291 .06797 -.00324 .599 .00248 .00138 .00307  .00070 -.00073 -.00044
O2   .12632 .36496 -.04233 .498 .00222 .00123 .00229 -.00040 -.00076  .00008
O3   .39965 .31351  .07820 .490 .00179 .00188 .00181  .00045  .00049  .00020
O4    .5137  .6640     .25 .610 .00294 .00269 .00103  .00070       0       0
O5    .1838  .4282     .25 .590 .00177 .00324 .00134  .00051       0       0