Serandite
Williams E R, Weller M T
American Mineralogist 99 (2014) 1755-1760
A variable-temperature neutron diffraction study of serandite: A Mn-silicate
framework with a very strong, two-proton site, hydrogen bond
Note: T = 575 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020405
7.7283 6.9174 6.7608 90.362 94.016 102.822 P-1
atom     x     y     z   occ  Uiso
Mn1  .8444 .5831 .1385       .0158
Mn2  .8552 .0917 .1343 .9258  .009
Ca2  .8552 .0917 .1343 .0742  .009
Na1  .5644 .2601 .3646        .042
Si1  .2129 .4144 .3476       .0121
Si2  .2072 .9513 .3465       .0121
Si3  .4528 .7344 .1476       .0121
O1   .6638 .7917 .1093       .0173
O2   .3240 .7058 .9393       .0173
O3   .1776 .4929 .5511       .0173
O4   .1599 .8410 .5607       .0173
O5   .0633 .3964 .1667       .0173
O6   .0549 .8951 .1746       .0173
O7   .4045 .5370 .2770       .0173
O8   .3977 .9117 .2800       .0173
O9   .2576 .1849 .3907       .0173
H16   .135  .628  .551   .55  .044
H17   .155  .703  .524   .45  .044