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 = 359 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008955
7.832 7.832 5.003 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3320 .1680 .5057 .935 .0515
NaX  .3320 .1680 .5057  .05 .0515
SrX  .3320 .1680 .5057  .01 .0515
KX   .3320 .1680 .5057  .01 .0515
MgT1     0     0     0  .96 .0450
AlT1     0     0     0  .07 .0450
SiT2 .1401 .3599 .9345  .99 .0434
AlT2 .1401 .3599 .9345  .01 .0434
O1      .5     0 .1832      .0552
O2   .1407 .3593 .2537      .0550
O3   .0814 .1874 .7869      .0542