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 = 413 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008957
7.838 7.838 5.006 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3319 .1681 .5057 .935 .0372
NaX  .3319 .1681 .5057  .05 .0372
SrX  .3319 .1681 .5057  .01 .0372
KX   .3319 .1681 .5057  .01 .0372
MgT1     0     0     0  .96 .0293
AlT1     0     0     0  .07 .0293
SiT2 .1401 .3599 .9347  .99 .0277
AlT2 .1401 .3599 .9347  .01 .0277
O1      .5     0 .1813      .0387
O2   .1411 .3589 .2542      .0412
O3   .0804 .1873 .7862      .0380