Babingtonite
Tagai T, Joswig W, Fuess H
Mineralogical Journal 15 (1990) 8-18
Neutron diffraction study of babingtonite at 80 K
Note: T = 80 K
Locality: Yakuki mine, Japan
_database_code_amcsd 0018508
7.497 12.225 6.710 86.18 93.90 112.27 P-1
atom      x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca(l) .1604 .9423 .8577     .00126 .00057  .0008 .00031  .00012 -.00015
Ca(2) .2824 .5201 .6956     .00059 .00080  .0008 .00030  .00019  .00014
Fe(l) .0502 .6440 .9392 .79 .00112 .00114 .00124 .00042  .00010 -.00007
Mn(l) .0502 .6440 .9392 .17 .00112 .00114 .00124 .00042  .00010 -.00007
Mg(l) .0502 .6440 .9392 .04 .00112 .00114 .00124 .00042  .00010 -.00007
Fe(2) .1887 .2353 .8158 .93 .00059 .00054 .00048 .00022  .00007  .00003
Al(2) .1887 .2353 .8158 .07 .00059 .00054 .00048 .00022  .00007  .00003
Si(1) .7651 .0532 .6590     .00075 .00044  .0005 .00026  -.0001   .0001
Si(2) .8528 .3133 .5754     .00066 .00039  .0003 .00024  -.0001  -.0001
Si(3) .6389 .4551 .7904     .00059 .00044  .0003 .00018   .0000  -.0000
Si(4) .7260 .7134 .6902     .00067 .00037  .0004 .00021   .0001   .0001
Si(5) .5085 .8356 .8940     .00035 .00042  .0006 .00009   .0001  -.0001
H     .2123 .0956 .5229      .0038  .0015  .0019  .0013   .0005   .0001
O(1)  .7891 .9874 .4664     .00191 .00077  .0005 .00061  .00003 -.00021
O(2)  .9507 .0803 .8155     .00056 .00078 .00039 .00019 -.00015 -.00001
O(3)  .7375 .1711 .5638     .00109 .00046  .0009 .00035 -.00028 -.00000
O(4)  .0216 .3382 .7535     .00061 .00074 .00047 .00027 -.00017 -.00014
O(5)  .0703 .6203 .6339     .00091 .00086 .00050 .00050  .00033  .00027
O(6)  .6931 .3707 .6273     .00066 .00068 .00061 .00044  .00005 -.00007
O(7)  .4152 .3844 .8419     .00054 .00054 .00067 .00023  .00026  .00023
O(8)  .7968 .4753 .9736     .00069 .00075  .0006 .00046 -.00008 -.00015
O(9)  .6430 .5686 .6621     .00064 .00037  .0009 .00013 -.00023 -.00015
O(10) .8828 .7553 .8751     .00056 .00068 .00044 .00021  .00001 -.00011
O(11) .1996 .2208 .5219     .00128 .00067 .00040 .00036  .00037  .00018
O(12) .5327 .7369 .7492     .00072 .00068 .00051 .00037  .00008 -.00018
O(13) .2886 .7989 .9435     .00061 .00068  .0011 .00021  .00028 -.00010
O(14) .3365 .1424 .9183     .00095 .00065 .00053 .00039 -.00037 -.00024
O(15) .5736 .9675 .7741     .00087 .00051 .00098 .00030  .00020  .00029