Rosenhahnite
Wan C, Ghose S, Gibbs G V
American Mineralogist 62 (1977) 503-512
Rosenhahnite, Ca3Si3O8(OH)2: crystal structure and the stereochemical
configuration of the hydroxylated trisilicate group, [Si3O8(OH)2]
Note: sample is from Mendocino County, California
_database_code_amcsd 0000580
6.955 9.484 6.812 108.64 94.84 95.89 P-1
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1  .27993 .34503 .18405      .00288 .00207 .00433  .00016  .00005  .00053
Ca2  .09599 .68010 .24285      .00272 .00203 .00388  .00022  .00002  .00021
Ca3  .84648 .00858 .26704      .00319 .00236 .00350  .00023 -.00055  .00016
Si1  .30412 .04876 .27718      .00187 .00171 .00282 -.00011  .00009  .00014
Si2  .62432 .66151 .32901      .00173 .00175 .00261 -.00008 -.00006  .00004
Si3  .80203 .37614 .27028      .00197 .00185 .00286  .00010  .00000  .00031
O1   .19280 .08740 .09020      .00493 .00265 .00357 -.00014 -.00119  .00071
O2   .50030 .96960 .21310      .00323 .00298 .00611  .00066  .00049 -.00107
O3   .15940 .94800 .36680      .00334 .00226 .00505 -.00045  .00034  .00103
O4   .39380 .21320 .44710      .00391 .00211 .00414 -.00037  .00056 -.00074
O5   .76940 .72540 .19690      .00287 .00276 .00401  .00018  .00067  .00127
O6   .40850 .59310 .20710      .00264 .00227 .00360 -.00052 -.00048  .00015
O7   .72110 .53300 .41280      .00406 .00224 .00355  .00085  .00014  .00038
O8   .60820 .29500 .09110      .00323 .00287 .00442 -.00044 -.00104  .00042
O9   .85600 .27160 .40150      .00474 .00235 .00438  .00072  .00008  .00104
O10  .97480 .41930 .14750      .00274 .00301 .00428  .00011  .00086  .00116
H1   .52400 .10100 -.1220  3.0
H2   .60200 .34200 -.0200   .8