Macfallite
Moore P B, Shen J, Araki T
American Mineralogist 70 (1985) 171-181
Crystal chemistry of the (M2)3+ phi2 sheet: Structural principles and crystal
structures of ruizite, macfallite and orientite
Locality: Lake Manganese, Copper Harbor, Keweenaw County, Michigan, USA
_database_code_amcsd 0000966
10.235 6.086 8.970 90 110.75 90 P2_1/m
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1      0     0     0 .61  1.8  .0037  .0178  .0046  .0000  .0010 -.0001
Al       0     0     0 .39  1.8  .0037  .0178  .0046  .0000  .0010 -.0001
Mn2     .5     0     0     2.36  .0052  .0233  .0059 -.0002  .0017  .0004
Mn3      0     0    .5     2.29  .0053  .0212  .0061 -.0002  .0016  .0001
Ca1  .6817   .25 .7954     2.85  .0064  .0236  .0099      0  .0031      0
Ca2  .3128   .25 .6687     2.93  .0060  .0265  .0086      0  .0015      0
Si1  .8107   .25 .1905     1.79  .0031  .0205  .0040      0  .0010      0
O1   .6519   .25  .056     1.98  .0030  .0221  .0055      0  .0013      0
O2   .9045   .25 .0778     2.63  .0037  .0366  .0043      0  .0017      0
O3   .8387 .0332  .306     2.25  .0037  .0230  .0065  .0005  .0012 -.0009
Si2  .1956   .25 .2929     1.76  .0036  .0183  .0045      0  .0015      0
O4   .1234   .25 .4279     2.17  .0041  .0267  .0042      0  .0020      0
O5   .3648   .25 .3986      2.1  .0034  .0249  .0042      0  .0007      0
O6   .1635 .0285 .1858     2.21  .0044  .0229  .0057  .0000  .0016 -.0008
Si3  .5029   .25 .3377     1.82  .0042  .0186  .0044      0  .0019      0
O7   .6394   .25 .5073     1.99  .0026  .0220  .0060      0  .0011      0
O8    .501 .0219 .2426     2.09  .0049  .0206  .0054 -.0009  .0021 -.0009
OH9  .3795   .25 .9394      2.2  .0056  .0219  .0051      0  .0024      0
OH10 .9324   .25  .586     2.16  .0042  .0238  .0041      0  .0005      0
OH11 .0649   .25 .9036     2.56  .0047  .0302  .0036      0 -.0003      0