Leguernite
Garavelli A, Pinto D, Mitolo D, Bindi L
Mineralogical Magazine 78 (2014) 1629-1645
Leguernite, Bi12.67O14(SO4)5, a new Bi oxysulfate from the fumarole deposit of
La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: O17 y-coordinate changed to reproduce reported bond lengths
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0020607
11.2486 5.6568 11.9139 90 99.177 90 P2
atom       x      y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1   .33418  .2978  .01006     .0123  .0173  .0110  .0101  .0019  .0065 -.0035
Bi2   .53822  .7996  .15842     .0125  .0163  .0132  .0095  .0049  .0068  .0080
Bi3   .21076  .7118  .19423     .0151  .0175  .0135  .0160 -.0019  .0083  -.003
Bi4   .40591  .2143  .32991     .0141  .0225  .0126  .0086  .0006  .0068  .0036
Bi5   .25801  .2204  .69433     .0106  .0144  .0109  .0063 -.0033  .0009  -.001
Bi6   .13281  .7240 -.13890     .0161  .0178  .0146  .0170  -.009  .0056  .0043
Bi7        0  .7366      .5 2/3 .0315   .017   .037   .044 .00000  .0180 .00000
S1     .3263   .697   .5350      .015
S2      .072   .217   .3548      .020
S3         0   .198       0      .015
O1      .214   .692    .587      .029
O2      .398   .915    .564      .041
O3      .392   .483    .582      .063
O4      .298   .737    .409      .068
O5      .009   .446    .343      .028
O6      .118   .176    .477      .045
O7      .165   .233    .281      .044
O8     -.019   .029    .316      .046
O9      .112   .063    .031       .09
O10    -.014   .344     .09       .09
O11     .269 .46918   -.169      .006
O12     .266  -.030   -.164      .004
O13     .353   .468    .201      .012
O14     .353   .966    .200      .008
O15       .5   .489       0      .013
O16       .5  -.008       0      .006
O17     .554 .18126    .235      .015
O18     .233   .655    .021      .021