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 = 500 deg C
Locality: synthetic
_database_code_amcsd 0002802
9.702 8.903 5.228 90 108.58 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  .86787 .33936 .17583     .01344 .01116 .01636 .01215  .00051 .00277  .00092
O1B  .37361 .84055 .12950     .01439 .01158 .01779 .01337  .00056 .00339 -.00113
O2A  .12166 .49977 .32593     .01669 .01970 .01221 .01864 -.00565 .00678 -.00106
O2B  .63063 .98561 .37802     .02159 .02271 .01862 .02613 -.00892 .01157 -.00709
O3A  .10420 .27096 .59479     .01976 .01449 .02546 .01936 -.00050 .00543  .00943
O3B  .60331 .70554 .47150     .01895 .01617 .02381 .01785  .00308 .00678  .00876
SiA  .04254 .34090 .28445     .01075 .01050 .01105 .01145 -.00124 .00454 -.00106
SiB  .54985 .83826 .23615     .01066 .01050 .01029 .01172 -.00119 .00429 -.00072
Mg1  .25060 .65285 .22641     .01490 .01596 .01404 .01463  .00035 .00480  .00053
Mg2  .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646  .00507 .00394  .00404
Ca2  .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646  .00507 .00394  .00404