American Mineralogist Crystal Structure Database

20 matching records for this search.

Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: E
_database_code_amcsd 0004433
7.33009 7.33009 17.1374 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .51  1.1
H3O      0      0      0 .49  1.1
Fe     1/6   -1/6   -1/6     1.98
S        0      0  .3089     1.39
O1       0      0  .3940      3.2
O2   .2224 -.2224 -.0557      2.5
O3   .1266 -.1266  .1358      .93
H     .177  -.177  .1105        2
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: F
_database_code_amcsd 0004434
7.32070 7.32070 17.1517 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .60  1.1
H3O      0      0      0 .40  1.1
Fe     1/6   -1/6   -1/6      2.3
S        0      0  .3096      1.9
O1       0      0  .3953      4.6
O2   .2213 -.2213 -.0556      2.7
O3   .1270 -.1270  .1360      2.0
H     .177  -.177   .111        2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: G
_database_code_amcsd 0004435
7.3112 7.3112 17.1792 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .70   .3
H3O      0      0      0 .30   .3
Fe     1/6   -1/6   -1/6     1.26
S        0      0  .3092      1.2
O1       0      0  .3958      2.3
O2   .2213 -.2213 -.0553      2.5
O3   .1267 -.1267  .1350       .4
H     .173  -.173   .107        2
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: H
_database_code_amcsd 0004436
7.3070 7.3070 17.1916 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .86  1.4
H3O      0      0      0 .14  1.4
Fe     1/6   -1/6   -1/6      1.3
S        0      0  .3082      1.8
O1       0      0  .3953      3.9
O2   .2214 -.2214 -.0549      2.1
O3   .1254 -.1254  .1350       .7
H     .185  -.185   .125        2
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: I
_database_code_amcsd 0004437
7.30293 7.30293 17.2043 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .95 1.04
H3O      0      0      0 .05 1.04
Fe     1/6   -1/6   -1/6      1.8
S        0      0  .3088     1.15
O1       0      0  .3939      1.8
O2   .2211 -.2211 -.0544     1.52
O3   .1252 -.1252  .1344      .80
H    .1863 -.1863  .1289        2
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: synthetic
Sample: J
_database_code_amcsd 0004438
7.3063 7.3063 17.0341 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .87  2.4
H3O      0      0      0 .13  2.4
Fe     1/6   -1/6   -1/6 .93  2.7
S        0      0  .3111      1.7
O1       0      0  .3966      3.5
O2   .2227 -.2227 -.0568      2.5
O3   .1278 -.1278  .1360      2.1
H     .168  -.168   .102        2
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: Rio Tonto, Huelva, Spain
Sample: 7-13-2-1
_database_code_amcsd 0004439
7.3478 7.3478 17.0280 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .02  1.4
H3O      0      0      0      1.4
Fe     1/6   -1/6   -1/6     1.95
S        0      0  .3095      1.1
O1       0      0  .3949      2.6
O2   .2243 -.2243 -.0566      2.2
O3   .1267 -.1267  .1356       .9
H     .165  -.165  .1000        2
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol92/AM92_1464.pdf
American Mineralogist 92 (2007) 1464-1473
Jarosite - hydronium jarosite solid solution series with
full iron occupancy: Mineralogy and crystal chemistry
Locality: Rio Tonto, Huelva, Spain
Sample: 7-11-3-8
Note: could not reproduce reported bond lengths
_database_code_amcsd 0004440
7.3128 7.3128 17.1973 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .84  1.4
H3O      0      0      0 .16  1.4
Fe     1/6   -1/6   -1/6 .91 1.62
S        0      0  .3111      1.5
O1       0      0  .3966      1.4
O2   .2215 -.2215 -.0565      2.8
O3   .1274 -.1274  .1367      1.0
H     .166  -.166   .102        2
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol93/AM93_853.pdf
American Mineralogist 93 (2008) 853-862
Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
jarosite solid-solution: A synthetic study with full Fe site occupancy
Locality: synthetic
Sample: K
_database_code_amcsd 0004571
7.3045 7.3045 17.0875 90 90 120 R-3m
atom       x        y       z occ Biso
K          0        0       0 .76   .7
Na         0        0       0 .24   .7
Fe   .166667 -.166667 -.16667     2.27
S          0        0   .3091      1.6
O1         0        0   .3947      2.4
O2     .2226   -.2226  -.0542      1.9
O3     .1275   -.1275   .1325       .6
H       .165    -.165    .168        2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol93/AM93_853.pdf
American Mineralogist 93 (2008) 853-862
Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
jarosite solid-solution: A synthetic study with full Fe site occupancy
Locality: synthetic
Sample: L
_database_code_amcsd 0004572
7.3052 7.3052 16.9706 90 90 120 R-3m
atom       x        y       z occ Biso
K          0        0       0 .60  1.0
Na         0        0       0 .40  1.0
Fe   .166667 -.166667 -.16667      2.6
S          0        0   .3096      1.5
O1         0        0   .3952      2.4
O2     .2236   -.2236  -.0541      2.2
O3     .1275   -.1275   .1333       .3
H       .161    -.161    .172        2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Basciano L C, Peterson R C
Download am/vol93/AM93_853.pdf
American Mineralogist 93 (2008) 853-862
Crystal chemistry of the natrojarosite-jarosite and natrojarosite-hydronium
jarosite solid-solution: A synthetic study with full Fe site occupancy
Locality: synthetic
Sample: M
_database_code_amcsd 0004573
7.3079 7.3079 16.9028 90 90 120 R-3m
atom       x        y       z occ Biso
K          0        0       0 .52  1.9
Na         0        0       0 .46  1.9
Fe   .166667 -.166667 -.16667     2.14
S          0        0   .3102      1.2
O1         0        0   .3945      2.0
O2     .2246   -.2246  -.0540      1.9
O3     .1271   -.1271   .1325       .4
H       .157    -.157    .173        2
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Scarlett N V Y, Grey I E, Brand H E A
Download am/vol95/AM95_1590.pdf
American Mineralogist 95 (2010) 1590-1593
Ordering of iron vacancies in monoclinic jarosites
Locality: synthetic
Note: T = 95 C
_database_code_amcsd 0017748
12.74852 7.34697 6.98243 90 127.1974 90 C2/m
atom     x     y     z  occ Biso
Na       0     0     0  .75 1.08
H3O      0     0     0  .25 1.08
Fe1      0     0    .5 .856 1.08
Fe2    .75   .25    .5      1.08
S    .3066     0 .9329      1.08
O1   .4091     0  .198      1.13
O2   .1679     0  .829      1.13
O3   .3423 .1656 .8460      1.13
OH4  .2603     0  .400  .92 1.13
Wat4 .2603     0  .400  .08 1.13
OH5  .0743 .2023 .3943  .92 1.13
Wat5 .0743 .2023 .3943  .08 1.13
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 297 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020094
7.2913 7.2913 17.1744 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K         0       0       0     .0160  .0185  .0185  .0112  .0092       0      0
Fe       .5       0      .5 .93 .0056  .0036  .0018  .0108 .00088 -.00010 -.0002
Al       .5       0      .5 .07 .0056  .0036  .0018  .0108 .00088 -.00010 -.0002
S         0       0  .30862     .0074  .0059  .0059  .0102 .00297       0      0
O1        0       0   .6065     .0127  .0143  .0143  .0095  .0072       0      0
O2   .22287 -.22287 -.05403     .0114  .0131  .0131  .0122  .0096  -.0006  .0006
O3   .12713 -.12713  .13553     .0102  .0062  .0062  .0176  .0026   .0021 -.0021
H1     .188   -.188    .112      .044
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 253 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020095
7.2931 7.2931 17.1456 90 90 120 R-3m
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0       0       0      .0137  .0151  .0151  .0108  .0076      0      0
Fe       .5       0      .5 .93 .00447  .0026  .0013  .0091 .00065 .00003 .00007
Al       .5       0      .5 .07 .00447  .0026  .0013  .0091 .00065 .00003 .00007
S         0       0  .30880      .0066  .0054  .0054  .0091 .00270      0      0
O1        0       0  .60621      .0102  .0107  .0107  .0090  .0054      0      0
O2   .22272 -.22272 -.05393      .0106  .0115  .0115  .0127  .0087 -.0007  .0007
O3   .12679 -.12679  .13548      .0090  .0056  .0056  .0149  .0021  .0013 -.0013
H1     .186   -.186    .113       .030
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 213 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020096
7.2918 7.2918 17.1235 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K         0       0       0     .0117  .0127  .0127  .0098  .0063       0      0
Fe       .5       0      .5 .93 .0038  .0020  .0009  .0081 .00044 -.00005 -.0001
Al       .5       0      .5 .07 .0038  .0020  .0009  .0081 .00044 -.00005 -.0001
S         0       0  .30890     .0057  .0044  .0044  .0085 .00219       0      0
O1        0       0   .6059     .0100  .0105  .0105  .0090  .0053       0      0
O2   .22258 -.22258 -.05377     .0088  .0098  .0098  .0101  .0072   .0001 -.0001
O3   .12696 -.12696  .13539     .0082  .0053  .0053  .0135  .0022   .0011 -.0011
H1     .188   -.188    .113      .032
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 173 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020097
7.2918 7.2918 17.1026 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K         0       0       0     .0097  .0106  .0106  .0079  .0053       0       0
Fe       .5       0      .5 .93 .0031  .0014  .0004  .0072 .00021 -.00001 -.00001
Al       .5       0      .5 .07 .0031  .0014  .0004  .0072 .00021 -.00001 -.00001
S         0       0  .30903     .0052  .0040  .0040  .0076 .00200       0       0
O1        0       0  .60547     .0089  .0085  .0085  .0098  .0043       0       0
O2   .22269 -.22269 -.05367     .0080  .0083  .0083  .0105  .0065  -.0002   .0002
O3   .12696 -.12696  .13533     .0073  .0041  .0041  .0133  .0017   .0012  -.0012
H1     .189   -.189    .113      .036
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 133 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020098
7.2907 7.2907 17.0900 90 90 120 R-3m
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K         0       0       0      .0076  .0080  .0080  .0066  .0040       0       0
Fe       .5       0      .5 .93 .00252  .0008     00  .0065 .00001 -.00006 -.00011
Al       .5       0      .5 .07 .00252  .0008     00  .0065 .00001 -.00006 -.00011
S         0       0  .30918      .0046  .0032  .0032  .0075 .00158       0       0
O1        0       0  .60530      .0078  .0070  .0070  .0093  .0035       0       0
O2   .22253 -.22253 -.05352      .0069  .0062  .0062  .0098  .0041      00      00
O3   .12697 -.12697  .13524      .0064  .0041  .0041  .0115  .0024   .0012  -.0012
H1     .188   -.188    .114       .018
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Jarosite
Download hom/jarosite.pdf
Becker U, Gasharova B
 
Physics and Chemistry of Minerals 28 (2001) 545-556
AFM observations and simulations of jarosite growth at the molecular scale:
probing the basis for the incorporation of foreign ions into jarosite
as a storage mineral
_database_code_amcsd 0008600
7.3110 7.3110 17.175 90 90 120 R-3m
atom      x      y      z occ
K         0      0      0 .81
H3O       0      0      0 .19
Fe        0     .5     .5 .96
S         0      0 .30862
O1        0      0 .39399
O2   .22322 .77678 .94625
O3   .12707 .87293 .13500 .94
H    .16750 .83250 .11693 .94
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Jarosite
Download hom/jarosite.pdf
Kato T, Miura Y
Download mj/vol8/MJ8_419.pdf
Mineralogical Journal 8 (1977) 419-430
The crystal structure of jarosite and svanbergite
Locality: Meadow Valley 1, Pinoche, Nevada, USA
_database_code_amcsd 0014420
7.304 7.304 17.2680 90 90 120 R-3m
atom     x      y      z Biso
K        0      0      0 1.04
Fe     1/6   -1/6   -1/6  .58
S        0      0  .3084  .58
O1       0      0  .3934 1.00
O2   .2180 -.2180 -.0543 1.23
OH   .1247 -.1247  .1351  .80
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Jarosite
Download hom/jarosite.pdf
Menchetti S, Sabelli C
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1976 (1976) 406-417
Crystal chemistry of the alunite series: crystal structure refinement of alunite
and synthetic jarosite
Note: none of the reported bond lengths can be reproduced
Locality: synthetic
_database_code_amcsd 0014756
7.315 7.315 17.224 90 90 120 R-3m
atom      x       y       z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
K         0       0       0 1.98 .01478 .01478 .00102 .00739       0       0
Fe        0      .5      .5 1.32 .00844 .00875 .00102 .00422 -.00004 -.00002
S         0       0  .30883 1.23 .00873 .00873 .00075 .00437       0       0
O1        0       0  .39356 1.25 .01011 .01011 .00043 .00506       0       0
O2   .22338 -.22338 -.05448 1.49 .01176 .01176 .00114 .00884 -.00044  .00044
Oh   .12682 -.12682  .13573 1.46 .00900 .00900 .00114 .00381  .00009 -.00009
H      .169   -.169    .106 8.95
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Total number of retrieved datasets: 20
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