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 = 773 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008962
7.879 7.879 5.032 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3317 .1683 .5058 .935 .0482
NaX  .3317 .1683 .5058  .05 .0482
SrX  .3317 .1683 .5058  .01 .0482
KX   .3317 .1683 .5058  .01 .0482
MgT1     0     0     0  .96 .0361
AlT1     0     0     0  .07 .0361
SiT2 .1397 .3603 .9351  .99 .0337
AlT2 .1397 .3603 .9351  .01 .0337
O1      .5     0 .1795      .0507
O2   .1412 .3588 .2527      .0558
O3   .0799 .1872 .7872      .0485