Pachnolite
Hawthorne F C, Ferguson R B
The Canadian Mineralogist 21 (1983) 561-566
The crystal structure of pachnolite
_database_code_amcsd 0005195
12.117 10.414 15.680 90 90.37 90 *F2/d
0 0 .25
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Al   .34562  .1259 .37241      .00087 .00180 .00057  .00005  .00006  .00005
Ca1     3/8  .1736    1/8      .00094 .00195 .00076       0  .00013       0
Ca2     3/8  .5694    1/8      .00094 .00191 .00061       0  .00006       0
Na    .6292  .1274 -.0040      .00238 .00397 .00189  .00059  .00029  .00016
F1    .0542 -.0009  .1396      .00150 .00282 .00156  .00046  .00015 -.00017
F2    .2599 -.0093  .1014      .00208 .00288 .00143 -.00082  .00054 -.00017
F3    .3145  .1138  .2602      .00265 .00395 .00065 -.00075 -.00006  .00005
F4    .3792  .1430  .4852      .00295 .00368 .00066 -.00024 -.00007 -.00012
F5    .1982  .2505  .1039      .00137 .00293 .00148  .00057 -.00019 -.00023
F6   -.0092  .2530  .1341      .00170 .00298 .00212 -.00106  .00033 -.00031
O     .3930  .3753  .0349      .00230 .00319 .00091  .00003  .00001 -.00010
H1     .351   .371   .000  1.0
H2     .461   .360   .027  1.0