Pargasite
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I
European Journal of Mineralogy 7 (1995) 1049-1063
Temperature-dependent Al order-disorder in the
tetrahedral double chain of C2/m amphiboles
Sample: S(6)
Note: O(5) y-coordinate changed to reproduce reported bond lengths
_database_code_amcsd 0006604
9.867 18.044 5.318 90 105.06 90 C2/m
atom      x     y     z  occ Biso
NaA       0   1/2     0  .09 5.76
KA        0   1/2     0  .02 5.76
NaAm  .0341   1/2 .0664  .09 3.97
KAm   .0341   1/2 .0664  .02 3.97
NaA2      0 .4664     0  .09 5.09
KA2       0 .4664     0  .02 5.09
MgM1      0 .0889   1/2  .69  .63
FeM1      0 .0889   1/2  .31  .63
MgM2      0 .1779     0  .49  .58
AlM2      0 .1779     0  .16  .58
TiM2      0 .1779     0 .105  .58
FeM2      0 .1779     0 .235  .58
NiM2      0 .1779     0 .005  .58
ZnM2      0 .1779     0 .005  .58
MgM3      0     0     0  .61  .55
AlM3      0     0     0  .05  .55
FeM3      0     0     0  .34  .55
CaM4      0 .2799   1/2  .46  .90
MnM4      0 .2799   1/2 .005  .90
FeM4      0 .2799   1/2 .035  .90
CaM4'     0 .2526   1/2  .46  .76
MnM4'     0 .2526   1/2 .005  .76
FeM4'     0 .2526   1/2 .035  .76
AlT1  .2806 .0853 .3011  .05  .48
SiT1  .2806 .0853 .3011  .95  .48
AlT2  .2907 .1721 .8116  .10  .52
SiT2  .2907 .1721 .8116  .90  .52
H     .1897     0 .7511 .986 2.51
O1    .1079 .0889 .2147       .77
O2    .1186 .1740 .7330       .73
O3    .1093     0 .7143 .986  .81
F3    .1093     0 .7143 .014  .81
O4    .3687 .2497 .7905       .97
O5    .3492 .1386 .1104      1.00
O6    .3428 .1176 .6017      1.03
O7    .3358     0 .2819      1.20