Ferrinatrite
Scordari F
Mineralogical Magazine 41 (1977) 375-383
The crystal structure of ferrinatrite, Na3(H2O)3[Fe(SO4)3] and its relationship
to Maus's salt, (H3O)2K2{K0.5(H2O)0.5}6[Fe3O(H2O)3(SO4)6](OH)2
Locality: Sierra Gorda, Chile
_database_code_amcsd 0014468
15.566 15.566 8.69 90 90 120 P-3
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Na1  .08331 .63668 .07025 2.35 .00251 .00405 .00852 .00193 -.00052 -.00088
Na2  .10843 .41626 .29914 2.64 .00316 .00351 .00841 .00081 -.00007  .00048
Na3  .21859 .25030 .40021 2.39 .00307 .00299 .00850 .00115 -.00035 -.00012
Fe1     1/3    2/3 .18650  .69 .00108 .00108 .00193 .00054       0       0
Fe2     1/3    2/3 .68720  .70 .00111 .00111 .00176 .00056       0       0
Fe3       0      0      0  .80 .00128 .00128 .00212 .00064       0       0
Fe4       0      0     .5  .82 .00133 .00133 .00224 .00066       0       0
S1   .33668 .51279 .42828  .84 .00146 .00131 .00249 .00089  .00022  .00005
S2   .18098 .50891 .94452  .82 .00112 .00109 .00254 .00048  .00004  .00015
S3   .14288 .16484 .74514  .86 .00108 .00134 .00254 .00054  .00004 -.00005
O1   .25324 .54408 .81398 1.16 .00184 .00142 .00345 .00056  .00079  .00043
O2   .37326 .58452 .56028  .95 .00183 .00174 .00236 .00119 -.00041 -.00092
O3   .28405 .54582 .31703 1.20 .00234 .00177 .00354 .00132 -.00091 -.00033
O4   .21278 .59338  .0581 1.14 .00199 .00164 .00293 .00093  .00007 -.00065
O5   .26396 .41471 .48140 1.22 .00263 .00145 .00690 .00066  .00085  .00101
O6   .42205 .51639 .35092 1.51 .00196 .00262 .00529 .00156  .00051 -.00024
O7   .51623 .60019 .88666 1.63 .00266 .00296 .00573 .00225  .00068 -.00019
O8   .57233 .75526 .02299 1.60 .00240 .00193 .00381 .00026 -.00122 -.00026
O9   .02687 .11661 .12848 1.16 .00139 .00177 .00355 .00067  .00046 -.00048
O10  .05994 .12309 .62772  .99 .00124 .00155 .00342 .00063 -.00017 -.00028
O11  .23447 .18034 .66936 1.50 .00167 .00272 .00474 .00116  .00050  .00011
O12  .15180 .25578 .80549 1.85 .00260 .00194 .00740 .00104 -.00046 -.00164
Wat1 .24914 .28210 .12922 2.16 .00286 .00211 .00763 .00075 -.00029  .00054
Wat2 .64289 .59199 .19949 2.26 .00333 .00254 .00818 .00129 -.00061 -.00044
Wat3 .39206 .31598 .42872 1.89 .00314 .00424 .00770 .00235  .00069  .00170