Alcaparrosaite
Kampf A R, Mills S J, Housley R M, Williams P A, Dini M
Mineralogical Magazine 76 (2012) 851-861
Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate
from Alcaparrosa, Chile
Locality: Alcaparrosa, Chile
_database_code_amcsd 0019768
7.55943 16.7923 12.1783 90 94.076 90 C2/c
atom       x       y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
K1         0  .47481    .75     .01896  .0162  .0150  .0251       0  -.0021       0
K2       .25     .75     .5     .01914  .0176  .0207  .0189   .0017  -.0002   .0020
K3        .5  .39010    .75      .0372  .0267  .0212  .0646       0   .0101       0
Ti4+M .61968 .610717 .63562  .5 .01168 .01078 .01044 .01344  .00056 -.00181 -.00212
Fe3+M .61968 .610717 .63562  .5 .01168 .01078 .01044 .01344  .00056 -.00181 -.00212
S1    .26049  .53961 .50891     .01092  .0094  .0116  .0117 -.00037  .00044 -.00246
S2         0  .68381    .75     .01056  .0080  .0108  .0127       0  -.0011       0
S3        .5  .77535    .75     .01101  .0115  .0083  .0131       0   .0002       0
O1    .10172  .58733 .49537      .0216  .0131  .0225  .0290   .0047   .0005  -.0054
O2     .2635  .48252 .59862      .0187  .0231  .0185  .0145  -.0043   .0021   .0012
O3    .41890  .59460 .52202      .0147  .0134  .0154  .0149  -.0038  -.0022  -.0004
O4    .71700  .50419 .59826      .0146  .0180  .0131  .0123   .0020  -.0011  -.0033
O5    .00753  .73230 .65145      .0187  .0182  .0197  .0181  -.0028  -.0001   .0062
O6    .84151  .62944 .73680      .0157  .0122  .0164  .0181  -.0042  -.0031   .0022
O7    .65673  .82283 .77721      .0195  .0162  .0162  .0257  -.0052  -.0007  -.0015
O8    .53144  .72169 .65363      .0166  .0234  .0119  .0144   .0024   .0014  -.0009
O9        .5  .57331    .75      .0131  .0132  .0131  .0130       0   .0009       0
OW    .75575  .66205 .50808      .0166  .0173  .0167  .0160  -.0021   .0033   .0001
H1      .794    .630   .459        .12
H2      .825   .6985   .533       .070