Bruggenite
Alici E, Schmidt T, Lutz H D
Zeitschrift fur Anorganische und Allgemeine Chemie 608 (1992) 135-144
Zur kenntnis des calciumbromats und -iodats, kristallstruktur, rontgenographische,
IR- und Raman-spektroskopische und thermo-analytische untersuchungen
_database_code_amcsd 0015795
8.5055 10.0221 7.5052 90 95.31 90 P2_1/c
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .78679 .50723 .33351       .0092  .0084  .0089  .0005  .0010  .0008
I1   .97317 .19012 .45710       .0074  .0081  .0049 -.0005 -.0004  .0008
I2   .48508 .68598 .05272       .0077  .0092  .0068  .0013  .0009  .0012
O1    .9791  .3598  .5427        .015   .011   .011   .002   .000  -.003
O2    .1708  .1705  .3982        .006   .014   .017   .000   .003  -.002
O3    .9901  .1014  .6695        .022   .023   .009  -.010  -.004   .009
O4    .6477  .3132  .3842        .020   .013   .038  -.009   .011  -.003
O5    .6623  .4373  .0200        .017   .026   .015  -.006  -.001  -.008
O6    .5405  .6231  .2753        .015   .021   .006   .002   .000   .003
Ow7   .6984  .5640  .6253        .021   .021   .013  -.008   .001   .002
H1     .627   .504   .679  .04
H2     .784   .616   .738  .04