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: dien1 T = 1038 deg C
Locality: synthetic
_database_code_amcsd 0002799
9.773 8.962 5.271 90 108.99 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  .86851 .33792 .17346     .02453 .02270 .02279 .02392  .00603 .00185 -.00022
O1B  .37326 .84298 .13288     .02440 .01854 .03292 .02364  .00073 .00944  .00263
O2A  .12306 .49709 .33023     .03242 .03611 .02643 .03503 -.01207 .01199 -.01426
O2B  .62729 .98937 .37205     .04033 .03885 .03969 .04646 -.01300 .01940 -.00072
O3A  .10337 .26371 .58561     .03129 .01962 .03966 .03383 -.00139 .00765  .01987
O3B  .60188 .71307 .48527     .03133 .02920 .03944 .02786  .00495 .01272  .01246
SiA  .04316 .33983 .27886     .01932 .01836 .01747 .02239 -.00196 .00700  .00228
SiB  .54744 .84026 .24409     .02209 .01627 .02454 .02556 -.00322 .00695 -.00196
Mg1  .24987 .65144 .23118     .02581 .02716 .02629 .02310 -.00454 .00695  .00247
Mg2  .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479  .00308 .00362  .00580
Ca2  .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479  .00308 .00362  .00580