Serandite
Jacobsen S D, Smyth J R, Swope R J, Sheldon R I
American Mineralogist 85 (2000) 745-752
Two proton positions in the very strong hydrogen bond of serandite,
NaMn2[Si3O8(OH)]
Sample: X-ray
_database_code_amcsd 0002430
7.7185 6.9064 6.7624 90.492 94.085 102.775 P-1
atom      x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Na   .55614 .25385 .35237            .0087  .0178  .0167  .0013   .0024   .0001
Mn1  .85219 .59405 .13637 .944      .00817 .00719 .00775 .00144  .00110  .00019
Mn2  .84956 .08396 .13308 .989      .00780 .00814 .00777 .00251  .00076 -.00010
Si1  .21589 .40239 .34113           .00604 .00492 .00677 .00151 -.00037  .00005
Si2  .20581 .95249 .35090           .00621 .00479 .00601 .00157 -.00006 -.00021
Si3  .45398 .73904 .14312           .00481 .00619 .00611 .00109  .00053 -.00003
H      .179   .621   .533      .064
O1   .66327 .79612 .11507            .0054  .0112  .0123  .0005   .0022   .0000
O2   .32289 .70965 .94371            .0091  .0124  .0075  .0029  -.0015  -.0006
O3   .18070 .49542 .55276            .0127  .0099  .0086  .0053   .0002  -.0023
O4   .15867 .84596 .55620            .0147  .0074  .0073  .0022   .0021   .0013
O5   .06121 .39059 .16778            .0074  .0117  .0076  .0018  -.0012   .0008
O6   .05273 .89324 .17232            .0074  .0103  .0076  .0019  -.0012  -.0012
O7   .40696 .53359 .27366            .0075  .0085  .0147  .0006   .0012   .0042
O8   .39617 .90570 .28860            .0079  .0101  .0117  .0039   .0004  -.0037
O9   .26035 .19025 .39346            .0102  .0048  .0121  .0023   .0000   .0003