Barentsite
Tjy C T L, Pobedimskaya E A, Fundamenskii V S, Nadezhina T N, Khomyakov A P
Doklady Akademii Nauk SSSR 273 (1983) 699-704
The crystal structure of barentsite
Note: y(O1) corrected
_database_code_amcsd 0012474
6.472 6.735 8.806 92.50 97.33 119.32 P-1
atom      x       y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1       0       0      0       .0136  .0120  .0160  .0088  .0067  .0056
Na2      .5      .5      0       .0104  .0131  .0122  .0079  .0026  .0027
Na3      .5       0      0       .0098  .0113  .0166  .0053  .0014  .0050
Na4  .72594  .38587 .35730       .0156  .0121  .0088  .0083  .0025  .0016
Na5  .77860  .12001 .64502       .0153  .0118  .0088  .0077  .0015  .0007
Al        0      .5      0       .0065  .0067  .0049  .0040   0014  .0011
H     .2084   .2219  .5139   .1
C1   .28907  .11140 .70073       .0075  .0075  .0083  .0038  .0017  .0017
C2   .20352  .38800 .28539       .0072  .0069  .0064  .0033  .0007  .0013
O1   .35206 -.00777 .62662       .0149  .0115  .0109  .0090  .0028  .0008
O2   .20770  .23336 .61985       .0198  .0150  .0111  .0138  .0045  .0051
O3   .29366  .13085 .84371       .0137  .0051  .0072  .0077  .0031  .0022
O4   .28515  .25854 .33757       .0168  .0141  .0116  .0121  .0025  .0046
O5   .17493  .39169 .13584       .0112  .0124  .0057  .0072  .0018  .0018
O6   .15343  .50495 .37421       .0164  .0125  .0074  .0101  .0023  .0003
F1   .75409  .39462 .10792       .0099  .0149  .0079  .0079  .0038  .0036
F2   .85005  .21556 .89472       .0116  .0096  .0085  .0058  .0004 -.0002