Bavenite
Cannillo E, Coda A, Fagnani G
Acta Crystallographica 20 (1966) 301-309
The crystal structure of bavenite
_database_code_amcsd 0009299
23.19 5.005 19.39 90 90 90 Cmcm
atom     x     y     z Biso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca   .0842 .2425 .1524 1.29 .01440 .02234 .01225  .00000  .00000  .00125
Be2  .1252 .8218   .25 1.37 .02402 .01597 .01210  .00389       0       0
Al4  .0958    .5     0  .97 .01000 .01689 .01000       0       0  .00024
Si1      0 .7802   .25  .77 .00490 .01440 .01000       0       0       0
Si3      0 .7227 .1047  .92 .01000 .01690 .00810       0       0       0
Si5  .1704     0     0  .94 .00810 .01956 .00813       0       0  .00060
Si6  .2141 .8539 .1428  .81 .00816 .01433 .00810 -.00065  .00000  .00000
O1       0 .5769 .1830  .88 .01690 .00758 .00881       0       0 -.00169
O2       0 .0302 .1139 1.36 .01690 .02250 .01210       0       0  .00000
O3   .0572 .5976 .0718 1.47 .01902 .02371 .01300  .00352  .00485 -.00035
O4   .1314 .2298 .0361 1.29 .01618 .01952 .01325  .00335  .00218  .00238
O5   .2081 .8636 .0598 1.21 .01381 .01827 .01390  .00255 -.00131 -.00022
O6   .2337 .5575 .1646 1.18 .01058 .02129 .01290 -.00102  .00056  .00343
O7   .1547 .9245 .1799 1.14 .01396 .01588 .01344 -.00135  .00072  .00123
O8   .1211 .4868   .25 1.22 .01059 .01631 .01960 -.00192       0       0
O9   .0586 .9504   .25  .91 .00813 .01210 .01440  .00034       0       0
H     .100  .267   .25