American Mineralogist Crystal Structure Database

1 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
_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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Total number of retrieved datasets: 1
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