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 = 800 deg C
Locality: synthetic
_database_code_amcsd 0002804
9.739 8.936 5.249 90 108.80 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  .86828 .33961 .17249     .01942 .01595 .02406 .01797  .00094 .00505  .00149
O1B  .37346 .84123 .13248     .01912 .01476 .02284 .01853  .00146 .00368 -.00057
O2A  .12164 .49858 .32875     .02349 .02631 .01887 .02612 -.00863 .00961 -.00341
O2B  .62975 .98637 .37552     .02678 .03137 .02224 .02992 -.00943 .01431 -.00841
O3A  .10313 .26764 .58800     .02651 .02048 .03486 .02415 -.00056 .00716  .01199
O3B  .60222 .70925 .47905     .02480 .02226 .03067 .02337  .00350 .00998  .01248
SiA  .04294 .34079 .28246     .01375 .01284 .01520 .01384 -.00107 .00518 -.00056
SiB  .54865 .83882 .23917     .01385 .01469 .01415 .01394 -.00138 .00632 -.00078
Mg1  .25051 .65217 .22924     .02020 .02213 .02058 .01778  .00014 .00625  .00025
Mg2  .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157  .00622 .00470  .00261
Ca2  .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157  .00622 .00470  .00261