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 = 900 C
pyroxene
_database_code_amcsd 0000349
9.906 9.164 5.273 90 105.22 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 .0915 .2327 .00351 .00427 .01116 -.00027  .00159 -.00032
Fe1      0 .9051   1/4 .00495 .00543 .01422       0  .00122       0
Ca2      0 .2987   1/4 .00913 .00587 .01977       0 -.00088       0
O1   .1193 .0889 .1506 .00373 .00719 .01855 -.00020  .00198 -.00001
O2   .3617 .2429 .3188 .00823 .00565 .02357 -.00194  .00248 -.00063
O3   .3486 .0162 .9973 .00517 .00758 .01698  .00005  .00323 -.00458