Romerite
Mauro D, Biagioni C, Pasero M, Zaccarini F
Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 125 (2019) 5-11
Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II.
Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14
Locality: Apuan Alps, Tuscany, Italy
_database_code_amcsd 0021047
6.4512 15.3227 6.3253 90.131 100.900 85.966 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)
Fe1       0      0      0 .937 .02334 .02399 .02376 .02183  .00261 .00480 -.00112
Mg1       0      0      0 .063 .02334 .02399 .02376 .02183  .00261 .00480 -.00112
Fe2  .33834 .32049 .59415      .01584 .01359 .01829 .01571 -.00087 .00304 -.00113
S1   .59254 .16805 .36383      .01818 .01640 .02030 .01781  .00112 .00407 -.00117
S2   .75975 .38681 .90753      .01631 .01231 .01854 .01806  .00022 .00325 -.00071
O1   .43250 .20875 .48398       .0265  .0261  .0232  .0334   .0000  .0146  -.0071
O2    .5827 .21823 .16491       .0373  .0318  .0565  .0225   .0095  .0069   .0145
O3   .80602 .17060 .49456       .0267  .0192  .0324  .0268  -.0017  .0002   .0050
O4    .5391 .07822  .3233       .0393  .0312  .0252  .0651  -.0052  .0175  -.0192
O5   .62150 .33040 .75706       .0310  .0189  .0399  .0319  -.0049 -.0021  -.0107
O6   .64340 .42237 .06784       .0289  .0297  .0265  .0355  -.0020  .0185  -.0073
O7   .82501 .45656  .7822       .0315  .0295  .0258  .0426   .0026  .0171   .0112
O8   .94463 .33050 .00823       .0256  .0173  .0357  .0222   .0071  .0024   .0046
OW1   .2481 .04966  .8682       .0490  .0472  .0371  .0740  -.0117  .0370  -.0198
OW2   .1125 .04925  .3104       .0406  .0287  .0560  .0351  -.0002  .0023  -.0191
OW3   .1762 .88257  .0914       .0520  .0809  .0464  .0277   .0377  .0232   .0122
OW4  .25766 .25557 .84328      .02528  .0219  .0343  .0204   .0029  .0075   .0035
OW5  .03497 .30762 .44176      .02332  .0172  .0313  .0202  -.0057 -.0012   .0027
OW6  .21832 .43552  .6971       .0276  .0235  .0241  .0384  -.0034  .0131  -.0114
OW7  .37797 .38788 .33444       .0282  .0292  .0278  .0311   .0064  .0174   .0100
H1     .335  .0094   .829        .070
H2     .330   .079   .975         .17
H3     .253   .057   .333        .079
H4     .048   .081   .400        .084
H5     .182  .8627   .219        .049
H6     .238  .8469   .006        .065
H7     .365  .2400   .959        .056
H8     .150  .2793   .897        .047
H9    -.035  .2640   .478        .046
H10    .005  .3159   .298        .037
H11    .082  .4389   .730        .059
H12    .273   .473   .809        .087
H13    .313  .4415   .290        .081
H14    .476  .3806   .248        .055