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 4
Locality: Baveno quarry, Italy
_database_code_amcsd 0020455
7.4692 11.6315 6.6865 91.589 93.873 104.208 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  .78156 .942009 .14271     .01064 .01489 .00804 .00849 .00184  .00157 -.00076
Ca2  .23777 .520383 .30389     .00939 .00777 .00960 .01010 .00124  .00056 -.00279
Fe1  .59369 .643874 .06104 .79 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Mn1  .59369 .643874 .06104 .18 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Mg1  .59369 .643874 .06104 .03 .00707 .00711 .00683 .00727 .00165  .00095 -.00012
Fe2  .04680 .235434 .18422 .95 .00624 .00620 .00555 .00683 .00130  .00026 -.00015
Al2  .04680 .235434 .18422 .05 .00624 .00620 .00555 .00683 .00130  .00026 -.00015
Si1  .28794  .05319 .34079     .00687 .00838 .00569 .00621 .00138 -.00021 -.00023
Si2  .46055  .31338 .42469     .00604 .00601 .00579 .00590 .00075  .00017  .00003
Si3  .80624  .44523 .20966     .00570 .00544 .00564 .00596 .00123  .00049  .00016
Si4  .98731  .71346 .31033     .00599 .00660 .00535 .00587 .00124  .00043 -.00012
Si5  .32676  .83559 .10615     .00654 .00619 .00610 .00755 .00191  .00088  .00013
O1   .19809  .98721 .53408     .01257  .0173  .0097  .0084 -.0015   .0022   .0011
O2   .12989  .08024 .18403     .00876  .0097  .0093  .0077  .0036  -.0005   .0000
O3   .43365  .17100 .43637     .01000  .0115  .0054  .0117  .0005  -.0026  -.0001
O4   .31675  .33830 .24607     .00799  .0078  .0081  .0078  .0018  -.0008   .0005
O5   .54994  .62038 .36552     .00964  .0099  .0104  .0081  .0017   .0014  -.0021
O6   .67764  .37058 .37303     .00864  .0069  .0098  .0085  .0002   .0016   .0019
O7   .96949  .38460 .15739     .00888  .0077  .0077  .0119  .0029   .0016  -.0007
O8   .67810  .47525 .02639     .00859  .0084  .0103  .0071  .0025  -.0006   .0013
O9   .92548  .56873 .33837     .00834  .0092  .0054  .0097  .0009  -.0006  -.0004
O10  .87188  .75529 .12462     .00854  .0085  .0097  .0077  .0030  -.0002   .0014
O11  .02167  .22090 .47826     .00995  .0131  .0083  .0076  .0009   .0023  -.0019
O12  .20424  .73696 .25061     .00872  .0072  .0099  .0093  .0021   .0017   .0026
O13  .50981  .79850 .05588     .01040  .0087  .0099  .0137  .0038   .0030   .0007
O14  .80579  .14242 .08227     .00944  .0086  .0090  .0095  .0004  -.0014   .0017
O15  .39450  .96738 .22519     .01083  .0110  .0077  .0135  .0023   .0005  -.0030
H1     .119   .9062   .519       .050