Pertlikite
Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C
The Canadian Mineralogist 46 (2008) 661-669
Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran
Locality: Madeni Zakh, Iran
_database_code_amcsd 0006190
19.2080 19.2080 27.2158 90 90 90 *I4_1/acd
0 -.25 .125
atom       x       y       z  occ   Uiso
S1   .961717 .013192 .881669      .01256
S2   .855855 .093187 .012190      .01247
S3   .106330 .130649 .974391      .01271
Fe1        0       0       0      .01297
Fe2  .794208       0     3/4 .719 .01341
Mg2  .794208       0     3/4 .281 .01341
Mg3  .852518 .147397 .897173 .742 .01346
Fe3  .852518 .147395 .897173 .258 .01346
Al         0     .25    .125      .01185
K     .00007       0     3/4      .03164
O1    .94004 -.05104  .85726       .0293
O2    .00530  .05430  .84827       .0234
O3    .89868  .05176  .89558       .0230
O4    .00262 -.00378  .92639       .0193
O5    .85269  .13891  .05494       .0290
O6    .82315  .12712  .96982       .0229
O7    .81894  .02821  .02480       .0233
O8    .92949  .07699  .00033       .0190
O9    .08850  .19804  .99582       .0298
O10   .08053  .12894  .92374       .0239
O11   .18249  .12144  .97558       .0245
O12   .07354  .07388  .00326       .0192
O13   .94033  .19736  .92101       .0247
H13A   .9744   .1777   .9208        .065
H13B   .9316   .2257   .9413        .073
O14   .79926  .04325  .68084       .0252
H14A   .8389   .0467   .6716        .079
H14B   .7683   .0688   .6744        .106
O15   .75947  .10238  .87849       .0248
H15A   .7275   .1120   .8966        .064
H15B    .752    .096   .8505        .103
Wat1  -.0137   .1927  .17896 .225  .0198
Wat2  -.0190   .1585  .10342 .222  .0210
Wat3  -.0759   .2820  .08946 .236  .0227
Wat4   .0579   .2639  .17991 .221  .0216
Wat5   .0898   .2685  .10361 .233  .0213
Wat6  -.0332   .3269  .08894 .228  .0218
Wat7       0     .25   .1946 .129   .023
Wat8  -.0697   .3197    .125 .134   .024
Wat9   .0694   .3194    .125 .133   .023