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 = 673 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008961
7.868 7.868 5.027 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3317 .1683 .5058 .935 .0481
NaX  .3317 .1683 .5058  .05 .0481
SrX  .3317 .1683 .5058  .01 .0481
KX   .3317 .1683 .5058  .01 .0481
MgT1     0     0     0  .96 .0362
AlT1     0     0     0  .07 .0362
SiT2 .1397 .3603 .9351  .99 .0336
AlT2 .1397 .3603 .9351  .01 .0336
O1      .5     0 .1791      .0512
O2   .1412 .3588 .2527      .0551
O3   .0799 .1876 .7871      .0489