Ellestadite-(OH)
Onac B P, Effenberger H, Ettinger K, Panzaru S P
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004258
9.496 9.496 6.920 90 90 120 P6_3/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0