Sassolite Gajhede M, Larsen S, Rettrup S Acta Crystallographica B42 (1986) 545-552 Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement Locality: synthetic _database_code_amcsd 0009809 7.0187 7.035 6.3472 92.49 101.46 119.76 P-1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) B1 .64844 .42648 .26038 .010 .0087 .0079 .0156 .0050 .0048 .0034 B2 .30894 .75823 .23940 .010 .0078 .0074 .0155 .0041 .0034 .0023 O1 .42559 .30116 .26361 .123 .0083 .0094 .0223 .0050 .0058 .0041 O2 .77245 .32657 .25137 .012 .0093 .0080 .0209 .0053 .0059 .0032 O3 .74654 .65032 .26327 .014 .0111 .0079 .0264 .0056 .0085 .0057 O4 .53531 .88530 .24873 .013 .0076 .0083 .0223 .0040 .0046 .0035 O5 .21313 .53531 .24336 .012 .0089 .0073 .0211 .0041 .0053 .0036 O6 .17974 .85407 .22874 .013 .0096 .0088 .0242 .0058 .0058 .0034 H1 .3606 .3931 .2662 .013 H2 .6848 .1714 .2582 .009 H3 .9012 .7201 .2542 .016 H4 .6106 .8022 .2631 .007 H5 .058 .463 .2513 .019 H6 .2619 1.013 .2362 .018