Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798 II, T = 600 C
Locality: Langban, Sweden
_database_code_amcsd 0008733
9.68245 18.3848 5.34572 90 101.8796 90 C2/m
atom     x     y     z  occ Biso
MnM1     0 .0870    .5 .196 1.77
FeM1     0 .0870    .5 .652 1.77
MgM1     0 .0870    .5 .152 1.77
MnM2     0 .1793     0 .243  .58
FeM2     0 .1793     0 .360  .58
MgM2     0 .1793     0 .397  .58
MnM3     0     0     0 .119 3.05
FeM3     0     0     0 .730 3.05
MgM3     0     0     0 .151 3.05
MnM4     0 .2562    .5 .452  5.8
CaM4     0 .2562    .5 .050  5.8
FeM4     0 .2562    .5 .498  5.8
SiT1 .2830 .0838 .2672 .953 1.39
FeT1 .2830 .0838 .2672 .047 1.39
SiT2 .2989 .1663 .7834      1.31
H1   .1936     0  .702      14.5
O1   .1131 .0881 .2094      1.79
O2   .1238 .1737 .7106      1.70
O3   .1136     0 .7110      1.84
O4   .3769 .2407 .7661      1.98
O5   .3466 .1272 .0538      2.04
O6   .3473 .1210 .5521      2.37
O7   .3350     0 .2712      1.96