Pyracmonite
Demartin F, Gramaccioli C M, Campostrini I
The Canadian Mineralogist 48 (2010) 307-313
Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0006332
15.2171 15.2171 8.9323 90 90 120 R3c
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N .07773 .30174 .24189 .867 .0322 .0315 .0324 .0330 .0163 -.0011 .0048
K .07773 .30174 .24189 .133 .0322 .0315 .0324 .0330 .0163 -.0011 .0048
H1 .031 .307 .264 .867 .059
H2 .113 .342 .169 .867 .047
H3 .066 .244 .207 .867 .077
H4 .112 .332 .323 .867 .091
Fe 0 0 .13800 .893 .01631 .01909 .01909 .0107 .00954 0 0
Al 0 0 .13800 .107 .01631 .01909 .01909 .0107 .00954 0 0
S .16913 .14291 .38360 .02027 .01528 .02044 .0189 .00431 .0006 -.0021
O1 .1198 .0934 .5215 .0585 .0390 .0803 .0184 .0013 .0043 .0180
O2 .09084 .11849 .2668 .0299 .0384 .0252 .0216 .0126 -.0095 -.0034
O3 .2218 .2516 .4072 .0693 .0732 .0238 .0685 -.0075 -.0324 -.016
O4 .2384 .1128 .3339 .0730 .0513 .1238 .0721 .0650 -.0266 -.0514
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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
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
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