Babingtonite Nagashima M, Mitani K, Akasaka M Mineralogy and Petrology 108 (2014) 287-301 Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 1 Locality: Yakuri mine, Japan _database_code_amcsd 0020452 7.4753 11.6397 6.6897 91.594 93.934 104.312 P-1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 .78231 .94194 .14194 .01032 .01395 .00797 .00844 .00160 .00130 -.00078 Ca2 .23759 .52011 .30410 .00899 .00695 .00939 .00984 .00104 .00011 -.00273 Fe1 .59365 .644234 .06141 .61 .00691 .00648 .00693 .00719 .00145 .00067 -.00003 Mn1 .59365 .644234 .06141 .32 .00691 .00648 .00693 .00719 .00145 .00067 -.00003 Mg1 .59365 .644234 .06141 .07 .00691 .00648 .00693 .00719 .00145 .00067 -.00003 Fe2 .04631 .235246 .18470 .99 .00584 .00562 .00533 .00643 .00125 .00006 -.00008 Al2 .04631 .235246 .18470 .01 .00584 .00562 .00533 .00643 .00125 .00006 -.00008 Si1 .28755 .05353 .34139 .00674 .00772 .00570 .00632 .00110 -.00052 -.00019 Si2 .46043 .31361 .42475 .00585 .00561 .00562 .00587 .00073 -.00013 -.00004 Si3 .80633 .44500 .20944 .00560 .00488 .00578 .00598 .00112 .00018 .00006 Si4 .98794 .71353 .31008 .00585 .00607 .00556 .00568 .00116 .00000 -.00012 Si5 .32706 .83612 .10656 .00650 .00578 .00623 .00757 .00165 .00064 .00008 O1 .19781 .98801 .53511 .01238 .0162 .0098 .0084 -.0020 .0014 .0013 O2 .12975 .08043 .18433 .00897 .0094 .0098 .0080 .0035 -.0008 -.0004 O3 .43353 .17146 .43653 .01002 .0110 .0056 .0120 .0005 -.0028 .0001 O4 .31625 .33810 .24619 .00782 .0071 .0083 .0078 .0017 -.0010 .0005 O5 .54990 .62007 .36568 .00934 .0089 .0104 .0080 .0011 .0010 -.0019 O6 .67740 .37088 .37287 .00831 .0065 .0093 .0084 .0004 .0011 .0016 O7 .96941 .38427 .15836 .00888 .0078 .0079 .0113 .0027 .0011 -.0009 O8 .67882 .47433 .02560 .00846 .0074 .0101 .0076 .0021 -.0009 .0011 O9 .92593 .56888 .33803 .00832 .0091 .0049 .0102 .0008 -.0012 -.0005 O10 .87261 .75544 .12476 .00820 .0079 .0092 .0076 .0026 -.0002 .0014 O11 .02121 .22104 .47851 .00970 .0123 .0083 .0077 .0008 .0021 -.0010 O12 .20462 .73672 .25029 .00880 .0068 .0096 .0100 .0016 .0016 .0028 O13 .51031 .79981 .05584 .01043 .0081 .0106 .0138 .0041 .0027 .0008 O14 .80598 .14217 .08201 .00933 .0083 .0091 .0093 .0004 -.0021 .0017 O15 .39358 .96760 .22633 .01072 .0100 .0075 .0140 .0018 -.0005 -.0038 H1 .128 .9050 .539 .050