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, T = 400 C
Locality: Langban, Sweden
_database_code_amcsd 0008727
9.67027 18.3656 5.34465 90 101.9899 90 C2/m
atom     x     y     z  occ Biso
MnM1     0 .0886    .5 .155 1.00
FeM1     0 .0886    .5 .682 1.00
MgM1     0 .0886    .5 .163 1.00
MnM2     0 .1798     0 .214  .37
FeM2     0 .1798     0 .412  .37
MgM2     0 .1798     0 .374  .37
MnM3     0     0     0 .076 2.58
FeM3     0     0     0 .750 2.58
MgM3     0     0     0 .174 2.58
MnM4     0 .2539    .5 .543  4.1
CaM4     0 .2539    .5 .050  4.1
FeM4     0 .2539    .5 .407  4.1
SiT1 .2817 .0841 .2667 .953  .98
FeT1 .2817 .0841 .2667 .047  .98
SiT2 .3010 .1659 .7857       .97
H1   .2047     0  .707      11.5
O1   .1140 .0887 .2080      1.31
O2   .1239 .1737 .7119      1.24
O3   .1122     0 .7135       .97
O4   .3745 .2408 .7685      1.48
O5   .3471 .1277 .0553      1.66
O6   .3466 .1212 .5531      1.62
O7   .3343     0 .2706      1.50