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 = 25 deg C
Locality: synthetic
_database_code_amcsd 0002800
9.651 8.846 5.202 90 108.34 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  .86657 .33948 .17890     .00662 .00494 .00690 .00789  .00005 .00181  .00066
O1B  .37428 .83968 .12721     .00668 .00494 .00843 .00658  .00005 .00169  .00046
O2A  .12121 .50101 .32229     .00800 .00980 .00567 .00908 -.00218 .00377 -.00030
O2B  .63154 .98539 .38134     .01184 .01156 .00931 .01722 -.00530 .00822 -.00598
O3A  .10505 .27466 .60141     .01017 .00700 .01225 .01143  .00084 .00314  .00524
O3B  .60473 .70086 .46442     .01001 .00686 .01411 .00909  .00095 .00255  .00505
SiA  .04243 .34128 .28683     .00555 .00529 .00501 .00701 -.00049 .00286 -.00051
SiB  .55079 .83814 .23243     .00561 .00533 .00528 .00662 -.00079 .00245 -.00065
Mg1  .25088 .65386 .22278     .00694 .00693 .00705 .00690 -.00003 .00227  .00070
Mg2  .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911  .00380 .00257  .00467
Ca2  .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911  .00380 .00257  .00467