Pigeonite Merli M, Camara F European Journal of Mineralogy 15 (2003) 903-911 Topological analysis of the electron density of the clinopyroxene structure by the maximum entropy method: an exploratory study Sample: BTS-308 n.13 Note: Site occupancies are from personal communication with Camara, Dec 2003 Locality: in ryodacite, Parana, Brazil _database_code_amcsd 0007018 9.716 8.948 5.250 90 108.49 90 P2_1/c atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) MgM1 .25042 .65468 .23160 .7600 .00781 .00677 .00795 .00012 .00293 .00042 Fe2+M1 .25042 .65468 .23160 .2112 .00781 .00677 .00795 .00012 .00293 .00042 Fe3+M1 .25042 .65468 .23160 .0089 .00781 .00677 .00795 .00012 .00293 .00042 AlM1 .25042 .65468 .23160 .0031 .00781 .00677 .00795 .00012 .00293 .00042 MnM1 .25042 .65468 .23160 .0068 .00781 .00677 .00795 .00012 .00293 .00042 TiM1 .25042 .65468 .23160 .0099 .00781 .00677 .00795 .00012 .00293 .00042 MgM2 .25528 .01601 .22693 .1511 .00901 .00979 .00739 .00142 .00093 .00032 FeM2 .25528 .01601 .22693 .6338 .00901 .00979 .00739 .00142 .00093 .00032 MnM2 .25528 .01601 .22693 .0203 .00901 .00979 .00739 .00142 .00093 .00032 NaM2 .25488 .04381 .24617 .0029 .00901 .00979 .00739 .00142 .00093 .00032 CaM2 .25488 .04381 .24617 .1918 .00901 .00979 .00739 .00142 .00093 .00032 SiA .04270 .34048 .27686 .00590 .00580 .01012 -.00065 .00340 -.00066 SiB .54958 .83740 .23867 .97 .00629 .00617 .00772 -.00098 .00295 -.00094 AlB .54958 .83740 .23867 .03 .00629 .00617 .00772 -.00098 .00295 -.00094 O1A .86743 .33823 .16903 .00613 .00923 .00940 .00063 .00266 -.00006 O1B .37368 .83676 .13442 .00683 .00948 .00997 .00044 .00275 -.00037 O2A .12187 .49939 .33255 .01219 .00763 .01294 -.00284 .00609 -.00108 O2B .62955 .98749 .37462 .01409 .01096 .01890 -.00521 .00890 -.00627 O3A .10426 .26238 .57898 .00901 .02053 .01960 .00100 .00451 .01259 O3B .60501 .70835 .47992 .00830 .01959 .01190 .00085 .00365 .00703