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 = 650 deg C
Locality: synthetic
_database_code_amcsd 0002803
9.713 8.913 5.234 90 108.64 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  .86807 .33954 .17543     .01717 .01259 .02205 .01565 -.00213 .00282 -.00038
O1B  .37321 .84096 .13015     .01491 .01344 .01662 .01427  .00024 .00386 -.00023
O2A  .12149 .49930 .32662     .02036 .02458 .01618 .02138 -.00751 .00883 -.00333
O2B  .63021 .98629 .37674     .02326 .02393 .01912 .02850 -.00742 .01085 -.00684
O3A  .10371 .27021 .59168     .02110 .01794 .02438 .02033 -.00114 .00521  .00996
O3B  .60314 .70639 .47337     .01973 .01803 .02328 .01792  .00399 .00582  .00860
SiA  .04250 .34052 .28366     .01172 .01182 .01240 .01091 -.00126 .00359 -.00098
SiB  .54963 .83857 .23700     .01133 .01181 .01040 .01178 -.00170 .00377 -.00118
Mg1  .25025 .65276 .22705     .01589 .01807 .01629 .01330  .00098 .00501  .00100
Mg2  .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676  .00475 .00326  .00277
Ca2  .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676  .00475 .00326  .00277