Monticellite
Pilati T, Demartin F, Gramaccioli C M
Acta Crystallographica B51 (1995) 721-733
Thermal parameters for minerals of the olivine group:
their implication on vibrational spectra,
thermodynamic functions and transferable force fields
Locality: Crestmore, California, USA
_database_code_amcsd 0019700
11.1098 6.3894 4.8281 90 90 90 Pnma
atom      x     y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0     0       0 .88  .0072  .0061  .0056 -.0006 -.0008 -.0016
Fe1       0     0       0 .12  .0072  .0061  .0056 -.0006 -.0008 -.0016
Ca2  .27684   .25 -.02255      .0059  .0063  .0071      0  .0003      0
Si   .08156   .25  .41098      .0062  .0056  .0043      0  .0002      0
O1   .07767   .25  -.2543      .0099  .0101  .0047      0 -.0003      0
O2   .44901   .25   .2460      .0059  .0092  .0069      0 -.0001      0
O3   .14753 .0457   .2733      .0081  .0068  .0075  .0013  .0004  .0002