Melilite
Bindi L, Bonazzi P
Physics and Chemistry of Minerals 32 (2005) 89-96
Incommensurate-normal phase transition in natural melilite:
an in situ high-temperature X-ray single-crystal study
Sample: San Venanzo, Italy; T = 373 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008956
7.833 7.833 5.004 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3320 .1680 .5055 .935 .0351
NaX  .3320 .1680 .5055  .05 .0351
SrX  .3320 .1680 .5055  .01 .0351
KX   .3320 .1680 .5055  .01 .0351
MgT1     0     0     0  .96 .0276
AlT1     0     0     0  .07 .0276
SiT2 .1401 .3599 .9349  .99 .0265
AlT2 .1401 .3599 .9349  .01 .0265
O1      .5     0 .1829      .0355
O2   .1409 .3591 .2546      .0379
O3   .0806 .1861 .7855      .0367