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 = 25 deg C Locality: synthetic _database_code_amcsd 0002801 9.651 8.846 5.202 90 108.38 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 .86654 .33948 .17873 .00580 .00462 .00691 .00576 -.00039 .00148 .00063 O1B .37433 .83963 .12772 .00613 .00485 .00782 .00577 .00024 .00173 -.00011 O2A .12099 .50111 .32199 .00696 .00807 .00544 .00744 -.00177 .00256 .00011 O2B .63185 .98529 .38213 .01077 .01096 .00879 .01507 -.00394 .00770 -.00468 O3A .10514 .27488 .60177 .00895 .00587 .01133 .00964 .00057 .00245 .00488 O3B .60463 .70100 .46426 .00940 .00656 .01388 .00809 .00099 .00278 .00498 SiA .04237 .34128 .28684 .00476 .00442 .00493 .00526 -.00039 .00200 -.00029 SiB .55077 .83808 .23258 .00481 .00489 .00454 .00537 -.00092 .00216 -.00110 Mg1 .25087 .65381 .22287 .00589 .00619 .00638 .00485 .00042 .00140 .00081 Mg2 .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807 .00389 .00217 .00436 Ca2 .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807 .00389 .00217 .00436