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 = 573 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008960
7.857 7.857 5.022 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3321 .1679 .5057 .935 .0314
NaX  .3321 .1679 .5057  .05 .0314
SrX  .3321 .1679 .5057  .01 .0314
KX   .3321 .1679 .5057  .01 .0314
MgT1     0     0     0  .96 .0207
AlT1     0     0     0  .07 .0207
SiT2 .1395 .3605 .9347  .99 .0181
AlT2 .1395 .3605 .9347  .01 .0181
O1      .5     0 .1799      .0343
O2   .1406 .3594 .2531      .0376
O3   .0812 .1877 .7867      .0334