American Mineralogist Crystal Structure Database

1 matching records for this search.

Macfallite
Download hom/macfallite.pdf
Nagashima M, Rahmoun N S, Alekseev E V, Geiger C A, Armbruster T, Akasaka M
 
American Mineralogist 93 (2008) 1851-1857
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite
Locality: Manganese Lake, Copper Harbor, Keweenaw County, Michigan
8.959 6.072 10.218 90 110.75 90 P2_1/m
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   .1670   .25 .3134      .0095  .0076  .0116  .0084      0  .0018      0
Ca2   .2949   .25 .6813      .0096  .0119  .0105  .0081      0  .0057      0
MnMn1    .5     0    .5 .837 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
AlMn1    .5     0    .5  .09 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MgMn1    .5     0    .5  .03 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
CuMn1    .5     0    .5  .01 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
VMn1     .5     0    .5 .003 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MnMn2    .5     0     0 .837 .0057  .0047  .0070  .0062  .0005  .0029  .0007
AlMn2    .5     0     0  .09 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MgMn2    .5     0     0  .03 .0057  .0047  .0070  .0062  .0005  .0029  .0007
CuMn2    .5     0     0  .01 .0057  .0047  .0070  .0062  .0005  .0029  .0007
VMn2     .5     0     0 .003 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MnMn3     0    .5     0 .837 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
AlMn3     0    .5     0  .09 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
MgMn3     0    .5     0  .03 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
CuMn3     0    .5     0  .01 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
VMn3      0    .5     0 .003 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
Si1   .3080   .75 .1891      .0087  .0056  .0113  .0098      0  .0035      0
Si2   .2074   .75 .8040      .0078  .0052  .0104  .0087      0  .0034      0
Si3   .1630   .75 .4982      .0071  .0081  .0074  .0069      0  .0040      0
O1    .2585 .5212 .4988      .0094  .0106   .009  .0106   .000  .0064  -.002
O2    .1937 .5340 .1622      .0106  .0087   .013  .0087   .001  .0010  -.001
O3    .3153 .5289 .8358      .0099  .0080   .012  .0080  .0020  .0011   .000
O4    .4213   .75 .0929      .0174   .006   .033   .013      0   .004      0
O5    .4444   .75 .3485      .0112   .007   .012   .014      0   .003      0
O6    .0866   .25 .9348      .0101   .011   .008   .014      0   .007      0
O7    .4395   .25 .3806      .0115   .006   .014   .015      0   .003      0
O8    .0726   .75 .8761      .0106   .007   .015   .013      0   .006      0
O9    .0999   .75 .6326      .0099   .008   .014   .009      0   .005      0
O10  -.0071   .75 .3610      .0120   .012   .021   .003      0   .004      0
O11   .3983   .25 .0631      .0168   .007   .025   .019      0   .006      0
H6    .2032   .25  .978        .05
H10   -.002   .75 .2666        .05
H11    .405   .25 .1609        .05
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