American Mineralogist Crystal Structure Database

6 matching records for this search.

Romerite
Download hom/romerite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download am/vol55/AM55_78.pdf
American Mineralogist 55 (1970) 78-89
The crystal structure of roemerite
Locality: Dexter mine, Utah, USA
_database_code_amcsd 0000195
6.463 15.309 6.341 90.53 101.08 85.73 P-1
atom      x       y       z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1       0       0       0 .01149 .00228 .01122  .00039  .00195 -.00044
Fe2  .33850  .32040  .59415 .00569 .00159 .00739 -.00029  .00109 -.00032
S1   .59285  .16794  .36415 .00801 .00195 .00938  .00002  .00156 -.00049
S2   .75980  .38682  .90730 .00610 .00175 .00894 -.00013  .00117 -.00034
O1   .43090  .20817  .48397 .01449 .00258 .01816  .00020  .00669 -.00159
O2   .58301  .21947  .16464 .01747 .00433 .01460  .00125  .00317  .00305
O3   .80677  .16991  .49380 .00897 .00316 .01684 -.00031 -.00026  .00187
O4   .53956  .07819  .32383 .01480 .00303 .03153 -.00123  .00593 -.00421
O5   .62142  .33029  .75584 .01099 .00353 .01896 -.00055 -.00141 -.00182
O6   .64356  .42242  .06814 .01530 .00260 .01795  .00006  .00741 -.00103
O7   .82510  .45660  .78307 .01440 .00272 .02191  .00017  .00738  .00206
O8   .94487  .33021  .00778 .00972 .00329 .01240  .00084  .00177  .00094
OW1  .25089  .04938 -.12957 .02611 .00352 .03803 -.00260  .01871 -.00484
OW2  .11209  .04923  .31091 .01533 .00507 .02070 -.00038  .00127 -.00401
OW3  .17529 -.11732  .09135 .04033 .00439 .01428  .00749  .00947  .00179
OW4  .25760  .25577  .84407 .01071 .00335 .01089 -.00005  .00220  .00055
OW5  .03495  .30719  .44316 .00954 .00318 .01019 -.00122  .00009 -.00020
OW6  .21791  .43565  .69570 .01343 .00230 .02071 -.00061  .00652  .00247
OW7  .37811  .38822  .33431 .01445 .00248 .01668  .00055  .00850  .00157
H1     .337    .018   -.175
H2     .276    .117   -.134
H3     .233    .063    .350
H4     .065    .095    .358
H5     .170   -.141    .205
H6     .225   -.147    .014
H7     .343    .231    .935
H8     .160    .277    .908
H9    -.040    .259    .440
H10    .011    .302    .311
H11    .300    .477    .789
H12    .055    .431    .709
H13    .337    .440    .315
H14    .460    .389    .237
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Romerite
Download hom/romerite.pdf
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
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Romerite
Download hom/romerite.pdf
Mereiter K
 
ICSD Communications 2018 (2018) https://dx.doi.org/10.25505/fiz.icsd.cc20vqsd
Experimental crystal structure determination
Locality: synthetic
_database_code_amcsd 0020887
6.3190 6.4521 15.3158 85.855 89.828 79.065 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     .01963 .01784 .02101 .01980 -.00446 .00143  .00209
Fe2   .40626 .33832  .32060     .01281 .01251 .01120 .01500 -.00280 .00139 -.00134
S1    .63681 .59250  .16811     .01532 .01463 .01411 .01732 -.00376 .00168  .00075
S2    .09271 .75972  .38688     .01327 .01455 .01004 .01536 -.00294 .00101 -.00025
O1    .51663 .43248  .20887     .02335  .0294  .0235  .0205  -.0139  .0074  -.0005
O2    .83555 .58272  .21829      .0342  .0190  .0288  .0535  -.0057 -.0134   .0085
O3    .50583 .80585  .17073     .02365  .0229  .0170  .0295   .0002 -.0047  -.0020
O4     .6762 .53918  .07834      .0362  .0610  .0285  .0230  -.0172  .0202  -.0060
O5    .24355 .62128  .33058      .0280  .0289  .0165  .0366   .0020  .0104  -.0052
O6   -.06781 .64333  .42244      .0259  .0320  .0275  .0234  -.0184  .0077  -.0028
O7     .2178 .82517  .45657      .0284  .0390  .0268  .0230  -.0168 -.0109   .0021
O8   -.00823 .94473  .33057     .02246  .0187  .0150  .0322  -.0023 -.0047   .0064
O1W    .1308 .24896  .04965      .0470  .0741  .0461  .0331  -.0388  .0213  -.0134
H1     .1830  .3195  .01363       .070
H2A    .1821  .2612  .09626  .5    .13
H2B    .0457  .3268  .07674  .5    .10
O2W   -.3114 .11259  .04925      .0376  .0317  .0267  .0525  -.0021  .0194  -.0006
H3    -.3437  .2356   .0575       .072
H4    -.3841  .0499   .0802       .073
O3W  -.09204  .1763 -.11736      .0489  .0239  .0790  .0429  -.0228 -.0116   .0373
H5    -.2126  .1893  -.1357       .049
H6    -.0236  .2299  -.1534       .056
O4W   .15760 .25733  .25584     .02216  .0168  .0194  .0311  -.0074 -.0036   .0030
H7     .0557  .3501   .2450       .050
H8     .1151  .1590   .2798       .041
O5W   .55840 .03488  .30787     .02032  .0167  .0151  .0280   .0017 -.0023  -.0065
H9     .5335 -.0323  .26853       .052
H10    .6852  .0066   .3179       .035
O6W   .30351 .21837  .43568      .0246  .0355  .0213  .0204  -.0129  .0119  -.0045
H11    .2268  .2800   .4709       .062
H12    .2879  .0979   .4391       .047
O7W   .66570 .37782  .38786      .0254  .0282  .0267  .0249  -.0176 -.0096   .0065
H13    .6857  .3257  .43686       .057
H14    .7325  .4714   .3816       .052
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Romerite
Download hom/romerite.pdf
Wang Q, Li W
 
Kexue Tongbao 33 (1988) 1783-1787
Crystal structure of a new ferric sulfate mineral
Note: atomic positions of H atoms are from ICSD
Locality: Xitieshan mine, Qinghai, China
_database_code_amcsd 0021048
6.448 15.248 6.307 90.14 100.93 94.12 P-1
atom      x      y      z occ Biso
Fe1       0      0      0 .68
Fe2  .66186 .31973 .40413
S1    .4075 .16743  .6331
S2    .2400 .38624  .0916
O1    .5692  .2075  .5137
O2   .41674  .2186  .8310
O3    .1950  .1693  .5005
O4    .5391 -.0774  .3243
O5    .3791  .3298  .2417
O6    .3567  .4223  .9310
O7    .1749  .4564  .2179
O8    .0544  .3301 -.0106
O9    .7524  .0492  .1298
O10   .1120 -.0475  .3105
O11   .1780  .1167  .0868
O12   .7427  .2542  .1541
O13   .9652  .3072  .5561
O14   .7806  .4354  .3013
O15   .6217  .3876  .6632
H1     .337  -.018     .9      4.2
H2     .276  -.117  -.134      4.2
H3     .233  -.063   .350      3.5
H4     .065  -.095   .358      3.5
H5     .170   .141   .205      4.3
H6     .225   .147   .014      4.3
H7     .343  -.231   .935      2.2
H8     .160  -.277   .908      2.2
H9    -.040  -.259    .44      2.1
H10    .011  -.302   .311      2.1
H11    .300  -.477   .789      2.4
H12    .055  -.431   .709      2.4
H13    .337  -.440   .315      2.3
H14    .460  -.389   .237      2.3
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View JMOL 3-D Structure (permalink)
 
Romerite
Download hom/romerite.pdf
Westland R E
 
Master's Thesis, Queen's University 2012 (2012) 1-161
New phases in the hydrous ferric sulfate system, a supporting argument that
the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure
refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite
Locality: Alcaparossa, Chile
_database_code_amcsd 0021046
6.4274 15.2490 6.3464 89.72 100.79 85.96 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)
Fe(1)      0      0      0     .016   .016   .016   .015   .002   .003  -.001
Fe(2)  .3414  .3197  .5970     .011   .010   .013   .011   .000   .002  -.001
S(1)   .5952  .1674  .3652     .013   .011   .014   .012   .001   .003  -.001
S(2)   .7628  .3864  .9083     .012   .009   .013   .012   .000   .002  -.001
O(1)   .4336  .2073  .4864     .017   .017   .016   .021   .000   .009  -.005
O(1W)  .2460  .0514 -.1321     .041   .040   .029   .067  -.013   .037  -.022
O(2)   .5859  .2194  .1676     .022   .020   .032   .015   .005   .004   .006
O(2W)  .1134  .0489  .3090     .031   .019   .045   .029   .002   .001  -.019
O(3)   .8095  .1694  .4974     .018   .014   .022   .017  -.001   .001   .003
O(3W)  .1803 -.1170  .0906     .040   .066   .036   .018   .031   .019   .010
O(4)   .5411  .0773  .3218     .024   .021   .017   .038  -.003   .011  -.011
O(4W)  .2598  .2539  .8459     .018   .014   .024   .015   .003   .006   .002
O(5)   .6269  .3284  .7588     .019   .012   .023   .021  -.002  -.001  -.006
O(5W)  .0364  .3084  .4459     .016   .013   .021   .014  -.005   .000   .002
O(6)   .6421  .4222  .0656     .018   .017   .018   .022  -.001   .010  -.004
O(6W)  .2231  .4352  .7000     .018   .014   .018   .024  -.002   .007  -.008
O(7)   .8276  .4568  .7805     .020   .017   .018   .025   .002   .009   .005
O(7W)  .3824  .3881  .3390     .019   .020   .020   .021   .005   .012   .006
O(8)   .9504  .3311  .0139     .016   .012   .023   .014   .003   .001   .002
H(1)   .3180  .0230 -.1890     .057
H(2A)  .3090  .0550 -.0180  .5 .059
H(2B)  .2720  .0984 -.1480  .5 .059
H(3)   .2300  .0570  .3450     .050
H(4)   .0550  .0740  .3850     .054
H(5)   .1840 -.1354  .2000     .039
H(6)   .2290 -.1520  .0210     .048
H(7)   .3570  .2402  .9510     .042
H(8)   .1660  .2742  .8830     .034
H(9)  -.0220  .2722  .4710     .028
H(10)  .0110  .3184  .3130     .027
H(11)  .2790  .4680  .7680     .041
H(12)  .0920  .4397  .7190     .043
H(13)  .3310  .4340  .3090     .048
H(14)  .4730  .3802  .2680     .034
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View JMOL 3-D Structure (permalink)
 
Romerite
Download hom/romerite.pdf
Biagioni C, Mauro D, Pasero M
 
Minerals 10 (2020) 1092
Sulfates from the pyrite ore deposits of the Apuan Alps (Tuscany, Italy): A review
Locality: Locality: Monte Arsiccio mine, Tuscany, Italy
_database_code_amcsd 0021053
6.4593 15.3310 6.3279 90.107 100.948 85.818 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 .893  .0220  .0228  .0234  .0194   .0024  .0046  -.0014
Mg1       0      0      0 .107  .0220  .0228  .0234  .0194   .0024  .0046  -.0014
Fe2  .33832 .32050 .59420      .01490  .0130  .0180  .0138 -.00112 .00307 -.00147
S1   .59259 .16800 .36398      .01743  .0159  .0203  .0161   .0010  .0040  -.0015
S2   .75973 .38687 .90752      .01561  .0113  .0187  .0169  -.0002  .0031  -.0013
O1    .4322 .20864  .4842       .0257  .0258  .0221  .0327  -.0002  .0150  -.0080
O2    .5828 .21804  .1650       .0356  .0309  .0567  .0184   .0087  .0070   .0143
O3    .8059 .17048  .4945       .0250  .0177  .0314  .0242  -.0026 -.0011   .0052
O4    .5388 .07838  .3241       .0380  .0308  .0256  .0614  -.0053  .0174  -.0199
O5    .6207 .33081  .7570       .0307  .0194  .0402  .0305  -.0050 -.0015  -.0106
O6    .6438 .42232  .0681       .0275  .0291  .0251  .0334  -.0025  .0186  -.0076
O7    .8253 .45630  .7820       .0304  .0274  .0265  .0408   .0016  .0164   .0114
O8    .9447 .33050  .0080       .0246  .0173  .0344  .0210   .0054  .0039   .0050
OW1   .2487 .04975  .8690       .0474  .0477  .0364   .069  -.0111  .0374  -.0200
OW2   .1124 .04941  .3097       .0396  .0278  .0558  .0334  -.0010  .0027  -.0195
OW3   .1762 .88282  .0909       .0492   .076  .0470  .0236   .0354  .0218   .0116
OW4   .2574 .25575  .8429       .0243  .0220  .0339  .0179   .0021  .0079   .0031
OW5   .0354 .30767  .4423       .0224  .0168  .0299  .0192  -.0064 -.0014   .0024
OW6   .2181 .43558  .6966       .0268  .0235  .0237  .0359  -.0030  .0122  -.0113
OW7   .3776 .38785  .3351       .0271  .0277  .0277  .0291   .0055  .0159   .0087
H1     .310   .011   .788        .080
H2     .099   .057    .85         .51
H3      .25   .062   .352        .079
H4     .037   .080   .400         .10
H5     .162   .859   .219        .066
H6     .219   .839   .008        .072
H7     .359   .238   .959        .068
H8     .144   .283   .899        .046
H9    -.036  .2612   .467        .027
H10    .006   .317   .296        .058
H11    .076   .439   .712        .054
H12    .272   .478   .791         .10
H13    .314  .4438   .308        .065
H14    .477   .379   .252        .053
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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