Hedenbergite
Cameron M, Sueno S, Prewitt C T, Papike J J
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 800 C
pyroxene
_database_code_amcsd 0000348
9.897 9.138 5.269 90 105.17 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2872 .0916 .2324 .00299 .00380 .01081 -.00035  .00129 -.00040
Fe1      0 .9054   1/4 .00443 .00463 .01316       0  .00119       0
Ca2      0 .2989   1/4 .00798 .00532 .01725       0 -.00080       0
O1   .1195 .0892 .1517 .00310 .00671 .01589  .00028  .00146  .00055
O2   .3618 .2436 .3193 .00720 .00529 .02319 -.00209  .00243 -.00118
O3   .3490 .0164 .9976 .00449 .00753 .01395 -.00004  .00213 -.00360