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 7
Locality: Kouraghana, Japan
_database_code_amcsd 0020457
7.4672 11.6235 6.6805 91.530 93.880 104.222 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  .78048 .94171 .14310     .01376 .01696 .01287 .01052 .00232 -.00041  .00049
Ca2  .23744 .52035 .30380     .01132 .00848 .01342 .01095 .00126 -.00106 -.00114
Fe1  .59359 .64352 .06055 .79 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Mn1  .59359 .64352 .06055 .10 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Mg1  .59359 .64352 .06055 .11 .00960 .00847 .01101 .00883 .00168 -.00060  .00179
Fe2  .04755 .23542 .18360 .94 .00882 .00786 .00964 .00830 .00139 -.00159  .00152
Al2  .04755 .23542 .18360 .06 .00882 .00786 .00964 .00830 .00139 -.00159  .00152
Si1  .28789 .05294 .34039     .00941 .00986 .00992 .00764 .00151 -.00198  .00145
Si2  .46033 .31335 .42499     .00824 .00726 .00964 .00699 .00092 -.00154  .00168
Si3  .80619 .44493 .20954     .00792 .00675 .00938 .00708 .00132 -.00135  .00176
Si4  .98641 .71334 .31058     .00830 .00783 .00925 .00727 .00147 -.00141  .00154
Si5  .32631 .83530 .10569     .00914 .00772 .01032 .00904 .00178 -.00064  .00181
O1   .19781 .98673 .53348      .0153  .0191  .0143  .0099 -.0012   .0001   .0028
O2   .13022 .08049 .18373     .01204  .0112  .0149  .0101  .0043  -.0026   .0017
O3   .43343 .17093 .43701      .0128  .0134  .0090  .0138  .0003  -.0050   .0014
O4   .31716 .33842 .24604     .01035  .0090  .0122  .0093  .0023  -.0023   .0023
O5   .54992 .62043 .36513     .01178  .0107  .0142  .0095  .0017  -.0002  -.0004
O6   .67780 .36976 .37332     .01080  .0081  .0138  .0094  .0007  -.0003   .0034
O7   .96915 .38435 .15692     .01104  .0092  .0115  .0125  .0031  -.0004   .0010
O8   .67774 .47531 .02678     .01069  .0091  .0137  .0086  .0022  -.0025   .0030
O9   .92553 .56845 .33895     .01061  .0106  .0088  .0112  .0009  -.0029   .0009
O10  .87076 .75481 .12466     .01095  .0097  .0136  .0096  .0033  -.0020   .0033
O11  .02276 .22100 .47787     .01217  .0142  .0123  .0087  .0011   .0002  -.0002
O12  .20384 .73717 .25104     .01144  .0085  .0148  .0108  .0021   .0000   .0044
O13  .50900 .79760 .05520      .0132  .0113  .0137  .0158  .0048   .0019   .0029
O14  .80610 .14246 .08276      .0125  .0111  .0144  .0105  .0012  -.0038   .0032
O15  .39486 .96729 .22397      .0139  .0140  .0115  .0151  .0020  -.0015  -.0013
H1     .122  .9048   .529       .050