American Mineralogist Crystal Structure Database

2 matching records for this search.

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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View JMOL 3-D Structure (permalink)
 
Pyracmonite
 
Palmer K J, Wong R Y, Lee K S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=236
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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