Taramellite
Mazzi F, Rossi G
American Mineralogist 65 (1980) 123-128
The crystal structure of taramellite
Locality: Candoglia, Italy
_database_code_amcsd 0000772
12.150 13.946 7.129 90 90 90 *Pmmn
-.25 -.25 0
atom     x     y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1    .75   .25  .2394     0.0014 0.0011 0.0078      0      0      0
Ba2    .25   .25  .4659     0.0026 0.0008 0.0129      0      0      0
Ba3    .25 .4749  .0070     0.0014 0.0012 0.0035      0      0 -.0003
Fe   .6295 .5020  .4765 .75 0.0015 0.0009 0.0031 0.0000 -.0003 -.0002
Ti   .6295 .5020  .4765 .25 0.0015 0.0009 0.0031 0.0000 -.0003 -.0002
Si1  .4894 .3662  .2048     0.0009 0.0006 0.0029 0.0000 0.0000 0.0000
Si2  .4736 .6441  .2073     0.0008 0.0007 0.0017 -.0001 0.0000 -.0001
B      .25 .6593  .2773     0.0018 0.0000 0.0041      0      0 -.0002
O1   .5062   .25  .2212     0.0027 0.0002 0.0035      0 -.0014      0
O2   .5207   .75  .2684     0.0017 0.0005 0.0044      0 -.0008      0
O3     .25 .5767  .4088     0.0029 0.0003 0.0010      0      0      0
O4     .75 .5715  .3623     0.0052 0.0000 0.0033      0      0 -.0001
O5   .5388 .6092  .0167     0.0015 0.0014 0.0030 0.0000 0.0003 -.0002
O6   .3798 .4001  .3135     0.0018 0.0011 0.0028 0.0005 -.0001 -.0009
O7   .6073 .4110  .2617     0.0012 0.0009 0.0047 -.0004 -.0004 -.0002
O8   .3456 .6482  .1479     0.0009 0.0014 0.0028 0.0006 0.0009 -.0008
O9   .4946 .5722  .3763     0.0017 0.0012 0.0044 0.0003 -.0004 0.0003
O10    .25   .75  .3803     0.0016 0.0013 0.0000      0      0      0
Cl     .25   .25 -.0088 .89 0.0036 0.0020 0.0149      0      0      0