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