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 = 348 K
Note: xO1 and yO1 corrected by authors
_database_code_amcsd 0008954
7.830 7.830 5.002 90 90 90 P-42_1m
atom     x     y     z  occ  Uiso
CaX  .3320 .1680 .5059 .935 .0340
NaX  .3320 .1680 .5059  .05 .0340
SrX  .3320 .1680 .5059  .01 .0340
KX   .3320 .1680 .5059  .01 .0340
MgT1     0     0     0  .96 .0272
AlT1     0     0     0  .07 .0272
SiT2 .1400 .3600 .9349  .99 .0257
AlT2 .1400 .3600 .9349  .01 .0257
O1      .5     0 .1828      .0355
O2   .1407 .3593 .2536      .0372
O3   .0805 .1871 .7859      .0363