|
Jarosite |
 |
Basciano L C, Peterson R C |
 |
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 |
|
Basciano L C, Peterson R C |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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 |
|
|
| 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 |
|
Basciano L C, Peterson R C |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
Basciano L C, Peterson R C |
|
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 |
|
Basciano L C, Peterson R C |
|
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 |
|
Basciano L C, Peterson R C |
|
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 |
|
|
| 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 |
|
Scarlett N V Y, Grey I E, Brand H E A |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Jarosite |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
Kato T, Miura Y |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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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