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
Zachariasen W H
Zeitschrift fur Kristallographie 88 (1934) 150-161
The crystal lattice of boric acid, BO3H3
_database_code_amcsd 0018735
7.05 7.05 6.57 92.50 101.17 120.0 P-1
atom x y z
B1 .653 .431 .25
B2 .319 .764 .25
O1 .431 .319 .25
O2 .764 .319 .25
O3 .764 .653 .25
O4 .210 .542 .25
O5 .210 .875 .25
O6 .542 .875 .25
H1 .319 .431 .25
H2 .319 .097 .25
H3 .990 .431 .25
H4 .653 .097 .25
H5 .990 .764 .25
H6 .653 .764 .25
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Total number of retrieved datasets: 2 View in amc, download in amc
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