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 = 298 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008953
7.826 7.826 5.004 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3316 .1684 .5065 .935 .0354
NaX  .3316 .1684 .5065  .05 .0354
SrX  .3316 .1684 .5065  .01 .0354
KX   .3316 .1684 .5065  .01 .0354
MgT1     0     0     0  .96 .0267
AlT1     0     0     0  .07 .0267
SiT2 .1399 .3601 .9359  .99 .0259
AlT2 .1399 .3601 .9359  .01 .0259
O1      .5     0 .1805      .0401
O2   .1408 .3592 .2558      .0367
O3   .0795 .1868 .7864      .0397