Clinoenstatite
Tribaudino M, Nestola F, Camara F, Domeneghetti M C
American Mineralogist 87 (2002) 648-657
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior
Sample: dien2, T = 25 deg C
Locality: synthetic
_database_code_amcsd 0002801
9.651 8.846 5.202 90 108.38 90 P2_1/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
O1A  .86654 .33948 .17873     .00580 .00462 .00691 .00576 -.00039 .00148  .00063
O1B  .37433 .83963 .12772     .00613 .00485 .00782 .00577  .00024 .00173 -.00011
O2A  .12099 .50111 .32199     .00696 .00807 .00544 .00744 -.00177 .00256  .00011
O2B  .63185 .98529 .38213     .01077 .01096 .00879 .01507 -.00394 .00770 -.00468
O3A  .10514 .27488 .60177     .00895 .00587 .01133 .00964  .00057 .00245  .00488
O3B  .60463 .70100 .46426     .00940 .00656 .01388 .00809  .00099 .00278  .00498
SiA  .04237 .34128 .28684     .00476 .00442 .00493 .00526 -.00039 .00200 -.00029
SiB  .55077 .83808 .23258     .00481 .00489 .00454 .00537 -.00092 .00216 -.00110
Mg1  .25087 .65381 .22287     .00589 .00619 .00638 .00485  .00042 .00140  .00081
Mg2  .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807  .00389 .00217  .00436
Ca2  .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807  .00389 .00217  .00436