Pyracmonite
Palmer K J, Wong R Y, Lee K S
Acta Crystallographica B28 (1972) 236-241
The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2*3H2O
Locality: synthetic
Note: y-coordinate of O10 altered to reproduce reported bond lengths
_database_code_amcsd 0009422
9.982 10.156 9.504 90 94.95 90 P2_1/c
atom       x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Fe    .21452 .11412 .51446      .003084 .003199 .002816 -.000371  .000319 -.000104
S1   -.01120  .0135 .27380      .003261 .003490 .002677 -.000817  .000212  .000234
S2    .39227 .25657  .2833      .002856 .004169 .003039 -.000025  .000345  .000598
O1     .0363 -.0553  .1544      .005561 .005817 .003904 -.001238  .001168 -.001560
O2    -.0362  .1522  .2432      .004550 .004120 .006135  .000000  .000531  .001300
O3    -.1382 -.0488  .3116      .003539 .006059 .003625 -.001980 -.000027  .000780
O4     .0914 -.0008  .3959      .003539 .004120 .003625 -.000866 -.000265 -.000234
O5     .5011  .1603  .2840      .005056 .009938 .006692  .003465  .001327  .003900
O6     .2730  .1922  .3363      .003539 .005817 .003625 -.001238  .000398  .001040
O7     .3554  .2905  .1326      .003792 .005575 .003346  .001238  .000478  .001040
O8     .4287  .3732  .3626      .009100 .007756 .006414 -.003960  .000796 -.001820
O9     .0904  .2675  .5190      .006572 .006059 .003625  .003218  .000265  .000520
O10    .3434 -.0369  .5068      .005308 .004363 .005298  .001238 -.001858 -.000520
O11   -.2887  .2395  .1328      .004803 .008483 .011712  .000248  .001062  .004420
N      .3060 -.0222  .0690      .006067 .007514 .011154  .000248  .001327  .000520
H1      .305  -.075  -.015  4.8
H2      .352  -.026   .134  6.3
H3      .320   .047   .043  6.9
H4      .212   .004   .086  5.9
H5      .326  -.094   .460  2.6
H6      .380  -.047   .566  4.0
H7      .044   .294   .456  2.9
H8      .058   .289   .583  6.2
H9     -.251   .252   .198  6.1
H10    -.342   .230   .190  3.1