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 = 208 C _database_code_amcsd 0010947 8.046 8.765 7.734 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 .38657 .07657 .25 1.066 .00453 .00305 .00454 -.00010 0 0 B .2593 .4190 .4206 .835 .0035 .0025 .0035 -.0001 .0001 -.0002 Si .05381 .19252 -.05598 .638 .00292 .00177 .00257 -.00005 .00001 -.00006 O1 .1930 .0679 -.0038 1.154 .0044 .0028 .0061 .0012 -.0012 -.0006 O2 .1266 .3649 -.0417 1.012 .0046 .0023 .0048 -.0007 -.0015 .0003 O3 .4006 .3138 .0779 .950 .0035 .0032 .0040 .0007 .00079 .0005 O4 .5125 .6651 .25 1.129 .0051 .0046 .0028 .0012 0 0 O5 .1849 .4274 .25 1.116 .0029 .0058 .0034 .0009 0 0