Mg8(Mg2Al2)Al8Si12(O,OH)56
Artioli G, Fumagalli P, Poli S
American Mineralogist 84 (1999) 1906-1914
The crystal structure of Mg8(Mg2Al2)Al8Si12(O,OH)56 pumpellyite and its
relevance in ultramafic systems at high pressure
_database_code_amcsd 0002335
8.5758 5.7295 18.5376 90 97.691 90 P2_1/m
atom     x    y    z occ Uiso
Mg1   .294  .75 .582     .095
Mg2   .225  .75 .410     .095
Mg3   .731  .75 .909     .095
Mg4   .818  .75 .084     .095
MgX1     0   .5   .5 .71 .095
MgX2     0   .5    0 .05 .095
AlX1    .5   .5   .5 .14 .095
AlX2    .5   .5    0 .87 .095
AlY1  .262 .514 .752     .095
AlY2  .749 .501 .746     .095
Si1   .042  .25 .345     .104
Si2   .122  .25 .501 .25 .104
Si2b  .360  .25 .495 .75 .104
Si3   .438  .25 .650     .104
Si4   .947  .25 .157     .104
Si5   .849  .25 .999     .104
Si6   .545  .25 .853     .104
O1    .121 .512 .332     .087
O2    .249 .477 .497     .087
O3    .357 .507 .662     .087
O4    .121  .75 .714     .087
O5    .128  .25 .707     .087
O6    .384  .75 .301     .087
O7    .388  .25 .290     .087
O8    .980  .25 .427     .087
O9    .501  .75 .432     .087
O10   .020  .25 .575     .087
O11   .532  .75 .572     .087
O12   .841 .491 .160     .087
O13   .739 .486 .997     .087
O14   .664 .466 .837     .087
O15   .868  .75 .802     .087
O16   .888  .25 .789     .087
O17   .613  .75 .208     .087
O18   .594  .25 .224     .087
O19   .989  .25 .072     .087
O20   .543  .75 .071     .087
O21   .935  .25 .923     .087
O22   .491  .75 .932     .087