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 = 1000 deg C
Locality: synthetic
_database_code_amcsd 0002805
9.752 8.949 5.255 90 108.84 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  .86862 .33890 .17197     .02075 .01655 .02735 .01874  .00345 .00625  .00100
O1B  .37311 .84175 .13310     .02136 .01986 .02434 .02009  .00202 .00674  .00018
O2A  .12226 .49844 .33087     .02613 .02956 .01942 .03102 -.00833 .01199 -.00410
O2B  .62858 .98692 .37344     .03082 .03185 .02848 .03628 -.01373 .01675 -.00999
O3A  .10324 .26674 .58704     .02842 .02092 .03935 .02482  .00030 .00715  .01704
O3B  .60230 .71138 .48337     .02867 .02675 .03591 .02514  .00777 .01085  .01352
SiA  .04317 .34038 .28182     .01524 .01501 .01670 .01515 -.00186 .00645 -.00167
SiB  .54817 .83878 .24048     .01576 .01547 .01633 .01619 -.00176 .00609 -.00152
Mg1  .25048 .65186 .23090     .02196 .02398 .02230 .01975 -.00015 .00728  .00060
Mg2  .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357  .00768 .00606  .00239
Ca2  .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357  .00768 .00606  .00239