American Mineralogist Crystal Structure Database

1 matching records for this search.

H2B12(OH)12
 
Stasko D J, Perzynski K J, Wasil M A, Brodbeck J K, Kirschbaum K, Kim Y W, Lind C
 
Inorganic Chemistry 43 (2004) 3786-3788
An addition to the oxoacid family: H2B12(OH)12
Locality: synthetic
_database_code_amcsd 0018656
8.2370 8.2930 8.3553 90 90.143 90 P2_1/n
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
B1   -.1724  .9970 .3876 .0134  .0178  .0047  .0176  .0016 -.0003 -.0009
B2   -.0084 1.1300 .3417 .0126  .0171  .0021  .0186  .0012 -.0022 -.0022
B3    .1761 1.0302 .3974 .0127  .0131  .0053  .0196  .0033 -.0041 -.0004
B4    .1267  .8359 .4818 .0133  .0149  .0068  .0182  .0000 -.0018 -.0006
B5   -.0900  .8157 .4752 .0138  .0161  .0066  .0185  .0014 -.0016 -.0027
B6    .0139  .9150 .3119 .0144  .0180  .0040  .0213 -.0002 -.0018 -.0006
O1   -.3217  .9950 .2959 .0167  .0176  .0098  .0227 -.0015 -.0047  .0015
O2   -.0199 1.2417 .2094 .0167  .0213  .0068  .0220  .0026  .0018  .0034
O3    .3242 1.0467 .3088 .0190  .0190  .0130  .0249 -.0027  .0036 -.0004
O4    .2420  .7065 .4709 .0168  .0216  .0069  .0219  .0036 -.0008 -.0028
O5   -.1667  .6596 .4576 .0170  .0218  .0047  .0245 -.0041  .0010 -.0026
O6    .0319  .8477 .1540 .0183  .0244  .0111  .0194  .0025 -.0019 -.0038
H1    -.396   .894  .297   .12
H2    -.329  1.062  .198  .066
H3     .071  1.261  .155  .037
H4     .392  1.128  .354  .054
H5     .205   .641  .398  .044
H6    -.248   .651  .509  .060
H7    -.057   .837  .100  .049
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