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 = 800 K
Locality: Mont St. Hilaire, Quebec, Canada
_database_code_amcsd 0020406
7.7513 6.9384 6.7761 90.307 94.019 102.858 P-1
atom     x     y     z   occ  Uiso
Mn1  .8489 .5864 .1358        .031
Mn2  .8502 .0880 .1349 .9258  .002
Ca2  .8502 .0880 .1349 .0742  .002
Na1  .5576  .258 .3630        .052
Si1  .2126 .4130 .3487       .0189
Si2  .2103 .9531 .3436       .0189
Si3  .4563 .7326 .1460       .0189
O1   .6636 .7906 .1130       .0226
O2   .3230 .7045 .9382       .0226
O3   .1755 .4874 .5495       .0226
O4   .1597 .8424 .5617       .0226
O5   .0627 .3932 .1654       .0226
O6   .0530 .8931 .1745       .0226
O7   .4041 .5342 .2749       .0226
O8   .3999 .9084 .2795       .0226
O9   .2579 .1847 .3907       .0226
H16   .130  .627  .556   .49  .058
H17   .168  .714  .541   .51  .058