American Mineralogist Crystal Structure Database

36 matching records for this search.

Hydronium jarosite
Download hom/hydroniumjarosite.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: A
_database_code_amcsd 0004429
7.3552 7.3552 16.9945 90 90 120 R-3m
atom     x      y      z occ Biso
H3O      0      0      0 .92  3.4
Fe     1/6   -1/6   -1/6     1.99
S        0      0  .3095       .9
O1       0      0  .3946      2.6
O2   .2253 -.2253 -.0565      1.5
O3   .1279 -.1279  .1368       .5
H     .163  -.163   .100        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)
 
Hydronium jarosite
Download hom/hydroniumjarosite.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: B
_database_code_amcsd 0004430
7.3521 7.3521 17.0108 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .10  4.1
H3O      0      0      0 .86  4.1
Fe     1/6   -1/6   -1/6     2.55
S        0      0  .3098      2.0
O1       0      0  .3955      7.0
O2   .2255 -.2255 -.0574      2.5
O3   .1265 -.1265  .1350      .19
H     .186  -.186   .125        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)
 
Hydronium jarosite
Download hom/hydroniumjarosite.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: C
_database_code_amcsd 0004431
7.3428 7.3428 17.0316 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .20  2.8
H3O      0      0      0 .81  2.8
Fe     1/6   -1/6   -1/6      3.0
S        0      0  .3109      2.2
O1       0      0  .3962      6.3
O2   .2264 -.2264 -.0589      2.4
O3   .1309 -.1309  .1334      1.9
H     .155  -.155   .092        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)
 
Hydronium jarosite
Download hom/hydroniumjarosite.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: D
_database_code_amcsd 0004432
7.3373 7.3373 17.1030 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .35  1.4
H3O      0      0      0 .65  1.4
Fe     1/6   -1/6   -1/6     2.48
S        0      0  .3100     1.27
O1       0      0  .3961      3.8
O2   .2242 -.2242 -.0569      2.3
O3   .1284 -.1284  .1365      1.2
H     .160  -.160   .100        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: 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)
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: 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)
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: 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)
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: 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
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)
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: 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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hydroniumjarosite
Download hom/hydroniumjarosite.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: A
_database_code_amcsd 0004441
7.3552 7.3552 16.9945 90 90 120 R-3m
atom     x      y      z occ Biso
H3O      0      0      0 .92  3.4
Fe     1/6   -1/6   -1/6     1.99
S        0      0  .3095       .9
O1       0      0  .3946      2.6
O2   .2253 -.2253 -.0565      1.5
O3   .1279 -.1279  .1368       .5
H     .163  -.163   .100        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)
 
Hydroniumjarosite
Download hom/hydroniumjarosite.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: B
_database_code_amcsd 0004442
7.3521 7.3521 17.0108 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .10  4.1
H3O      0      0      0 .86  4.1
Fe     1/6   -1/6   -1/6     2.55
S        0      0  .3098      2.0
O1       0      0  .3955      7.0
O2   .2255 -.2255 -.0574      2.5
O3   .1265 -.1265  .1350      .19
H     .186  -.186   .125        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)
 
Hydroniumjarosite
Download hom/hydroniumjarosite.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: C
_database_code_amcsd 0004443
7.3428 7.3428 17.0316 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .20  2.8
H3O      0      0      0 .81  2.8
Fe     1/6   -1/6   -1/6      3.0
S        0      0  .3109      2.2
O1       0      0  .3962      6.3
O2   .2264 -.2264 -.0589      2.4
O3   .1309 -.1309  .1334      1.9
H     .155  -.155   .092        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)
 
Hydroniumjarosite
Download hom/hydroniumjarosite.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: D
_database_code_amcsd 0004444
7.3373 7.3373 17.1030 90 90 120 R-3m
atom     x      y      z occ Biso
K        0      0      0 .35  1.4
H3O      0      0      0 .65  1.4
Fe     1/6   -1/6   -1/6     2.48
S        0      0  .3100     1.27
O1       0      0  .3961      3.8
O2   .2242 -.2242 -.0569      2.3
O3   .1284 -.1284  .1365      1.2
H     .160  -.160   .100        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: 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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Natrojarosite
Download hom/natrojarosite.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: N
_database_code_amcsd 0004574
7.3101 7.3101 16.7658 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .69  2.5
K          0        0       0 .29  2.5
Fe   .166667 -.166667 -.16667     2.02
S          0        0   .3112       .7
O1         0        0   .3972      1.9
O2     .2252   -.2252  -.0528      1.1
O3     .1267   -.1267   .1315       .2
H       .162    -.162    .170        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)
 
Natrojarosite
Download hom/natrojarosite.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: O
_database_code_amcsd 0004575
7.3144 7.3144 16.6491 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .85  3.4
K          0        0       0 .11  3.4
Fe   .166667 -.166667 -.16667     1.62
S          0        0   .3121      1.2
O1         0        0   .4008      1.4
O2     .2229   -.2229  -.0510      1.5
O3     .1257   -.1257   .1305       .4
H       .162    -.162    .169        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)
 
Natrojarosite
Download hom/natrojarosite.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: P
_database_code_amcsd 0004576
7.31525 7.31525 16.5868 90 90 120 R-3m
atom       x        y       z Biso
Na         0        0       0  3.0
Fe   .166667 -.166667 -.16667 1.09
S          0        0   .3123  .91
O1         0        0   .4020   .8
O2     .2220   -.2220  -.0505  .85
O3     .1252   -.1252  .13018  .33
H      .1583   -.1583   .1697    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)
 
Natrojarosite
Download hom/natrojarosite.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: Q
_database_code_amcsd 0004577
7.31984 7.31984 16.6474 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .87  3.0
H3O        0        0       0 .13  3.0
Fe   .166667 -.166667 -.16667     1.43
S          0        0   .3117     1.16
O1         0        0   .4012      1.0
O2     .2222   -.2222  -.0510      1.3
O3     .1252   -.1252   .1304      .64
H      .1671   -.1671    .164        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)
 
Natrojarosite
Download hom/natrojarosite.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: R
_database_code_amcsd 0004578
7.3254 7.3254 16.7209 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .67  3.5
H3O        0        0       0 .33  3.5
Fe   .166667 -.166667 -.16667     1.70
S          0        0   .3111      .99
O1         0        0   .3995      1.0
O2     .2235   -.2235  -.0522      1.4
O3     .1255   -.1255   .1308      .68
H       .166    -.166    .166        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)
 
Hydroniumjarosite
Download hom/hydroniumjarosite.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: S
_database_code_amcsd 0004579
7.33876 7.33876 16.8105 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .49  5.4
H3O        0        0       0 .51  5.4
Fe   .166667 -.166667 -.16667     1.66
S          0        0   .3099     1.44
O1         0        0   .3990      1.4
O2     .2235   -.2235  -.0535      1.9
O3     .1255   -.1255   .1320      .42
H       .166    -.166    .166        2
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Hydroniumjarosite
Download hom/hydroniumjarosite.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: T
_database_code_amcsd 0004580
7.3420 7.3420 16.8574 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .35  8.0
H3O        0        0       0 .65  8.0
Fe   .166667 -.166667 -.16667     1.84
S          0        0   .3089     1.81
O1         0        0   .3979       .5
O2     .2229   -.2229  -.0538      2.6
O3     .1257   -.1257   .1326       .5
H       .171    -.171    .163        2
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Hydroniumjarosite
Download hom/hydroniumjarosite.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: U
_database_code_amcsd 0004581
7.34742 7.34742 16.9253 90 90 120 R-3m
atom       x        y       z occ Biso
Na         0        0       0 .24  7.1
H3O        0        0       0 .76  7.1
Fe   .166667 -.166667 -.16667     2.11
S          0        0   .3094      1.9
O1         0        0   .3998      2.2
O2     .2242   -.2242  -.0548      2.8
O3     .1266   -.1266   .1338       .3
H       .169    -.169    .167        2
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Schoenfliesite
Download hom/schoenfliesite.pdf
Basciano L C, Peterson R C, Roeder P L
Download cm/vol36/CM36_1203.pdf
The Canadian Mineralogist 36 (1998) 1203-1210
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
MnSn(OH)6, and burtite, CaSn(OH)6
Locality: a 1375 BC shipwreck
_database_code_amcsd 0005565
7.7449 7.7449 7.7449 90 90 90 *Pn3
.25 .25 .25
atom      x     y     z occ
Mg        0     0     0
Sn       .5    .5    .5
H1    -.044 .1994 .2448  .5
H2    -.222  .074  .219  .5
O    -.0619 .0751  .254
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Wickmanite
Download hom/wickmanite.pdf
Basciano L C, Peterson R C, Roeder P L
Download cm/vol36/CM36_1203.pdf
The Canadian Mineralogist 36 (1998) 1203-1210
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
MnSn(OH)6, and burtite, CaSn(OH)6
Locality: a 1375 BC shipwreck
_database_code_amcsd 0005566
7.8744 7.8744 7.8744 90 90 90 *Pn3
.25 .25 .25
atom      x     y     z occ
Mn        0     0     0
Sn       .5    .5    .5
H1   -.0781  .202  .234  .5
H2    -.201  .069  .270  .5
O    -.0643 .0755 .2586
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Burtite
Download hom/burtite.pdf
Basciano L C, Peterson R C, Roeder P L
Download cm/vol36/CM36_1203.pdf
The Canadian Mineralogist 36 (1998) 1203-1210
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck,
and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite,
MnSn(OH)6, and burtite, CaSn(OH)6
Locality: a 1375 BC shipwreck
_database_code_amcsd 0005567
8.1221 8.1221 8.1221 90 90 90 *Pn3
.25 .25 .25
atom      x     y     z occ
Ca        0     0     0
Sn       .5    .5    .5
H1   -.0346 .2011 .2869  .5
H2   -.1805 .0638 .3026  .5
O    -.0663 .0787 .2694
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Bigcreekite
 
Basciano L C, Groat L A, Roberts A C, Gault R A, Dunning G E, Walstrom R E
Download cm/vol39/CM39_761.pdf
The Canadian Mineralogist 39 (2001) 761-768
Bigcreekite: A new barium silicate mineral species from Fresno County, California
Locality: Fresno County, California, USA
_database_code_amcsd 0005718
5.0453 9.044 18.366 90 90 90 Pnma
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba     .18514    1/4 .55389 .0161  .0245  .0154  .0084      0 .00081      0
Si      .1666 .07197 .20374 .0088  .0098  .0112  .0054 -.0001  .0003 -.0009
O(1)    .3806  .0146  .2649 .0133  .0097  .0153  .0148 -.0014 -.0015  .0032
O(2)    .2139  .0068  .1248 .0157  .0192  .0187  .0091  .0002  .0023 -.0035
O(3)    .1700    1/4  .2039 .0159  .0177  .0124  .0176      0 -.0012      0
Wat(4)  .1945    1/4  .0246 .0217  .0236  .0243  .0171      0  .0013      0
Wat(5)  .2019  .0410  .4410 .0264  .0223  .0408  .0162  -.004  .0018 -.0072
Wat(6)   .254    1/4  .8448 .0395  .0689  .0191  .0306      0 -.0260      0
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Kampfite
 
Basciano L C, Groat L A
Download cm/vol45/CM45_935.pdf
The Canadian Mineralogist 45 (2007) 935-943
The crystal structure of kampfite
Locality: Esquire #1 claim, Rush Creek, Fresno County, California
_database_code_amcsd 0006152
31.2329 5.2398 9.0966 90 106.933 90 Cc
atom      x     y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .39588 .2498 .05925      .01741  .0175  .0197  .0151 -.0014  .0047  .0014
Ba2  .61035 .2503 .27376      .01730  .0172  .0196  .0154 -.0012  .0052 -.0022
Ba3  .00309 .2503 .33408       .0161  .0157  .0166  .0160  .0005  .0047 -.0001
SiT1 .19850 .1885  .5271 .675  .0142   .014   .015   .011 -.0013  00001 -.0004
AlT1 .19850 .1885  .5271 .325  .0142   .014   .015   .011 -.0013  00001 -.0004
SiT2 .19884 .3121  .1973 .675  .0131  .0138  .0128  .0125  .0017  .0037 -.0003
AlT2 .19884 .3121  .1973 .325  .0131  .0138  .0128  .0125  .0017  .0037 -.0003
SiT3 .30741 .3118  .3059 .675  .0121  .0138  .0110  .0125  .0000  .0054  .0001
AlT3 .30741 .3118  .3059 .325  .0121  .0138  .0110  .0125  .0000  .0054  .0001
SiT4 .30768 .1888  .6361 .675  .0123   .013   .012   .013 -.0003   .006  .0008
AlT4 .30768 .1888  .6361 .325  .0123   .013   .012   .013 -.0003   .006  .0008
C1    .0736 .2483  .0693        .020   .019   .021   .019  -.001   .007   .000
C2    .4327 .2461  .4289       .0190   .018   .021   .017   .000   .005   .003
O1    .4299  .033  .3556        .020   .020   .022   .021   .007   .010   .002
O2    .4320  .255  .5724        .023   .025   .023   .018  -.001   .001   .008
O3    .4307  .464  .3545        .024   .019   .033   .022   .007   .009  -.002
O4    .3272 .5988  .2758       .0175   .019   .016   .017  -.002   .004   .000
O5    .3266 .0982  .2031       .0165   .015   .016   .019  -.002   .008  -.002
O6    .3288  .232  .4907        .020   .017   .031   .015   .006   .008   .007
O7    .0763  .028   .002        .024   .023   .026   .021  -.007   .003   .004
O8    .0757  .461 -.0003        .020   .021   .017   .024  -.003   .009  -.001
O9    .0741  .257  .2136        .023   .024   .023   .024   .001   .009   .008
O10   .1797 .0987  .0574       .0177   .020   .014   .017  -.002   .001   .000
O11   .1793 .5999  .1262       .0184   .022   .011   .023   .001   .009   .000
O12   .1776  .232  .3395        .022   .020   .027   .018  -.008   .003   .001
O13   .2532 .1957  .5784       .0178   .016   .019   .017   .000   .004  -.007
O14   .2532 .3114  .2557       .0167   .011   .021   .018   0001   .003   .006
Cl1   .5031 .2499  .1675       .0198  .0209  .0201  .0183  -.008  .0055  -.004
Cl2   .5030  .255   .500  .240  .024   .049   .019   .007   .009   .012   .006
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Plumbojarosite
Download hom/plumbojarosite.pdf
Basciano L C, Peterson R C
 
The Canadian Mineralogist 48 (2010) 651-659
A crystallographic study of the incomplete solid-solution
between plumbojarosite and jarosite
Note Sample G
Locality: synthetic
_database_code_amcsd 0006284
7.3185 7.3185 33.7274 90 90 120 R-3m
atom     x     y      z  occ Uiso
PbA1     0     0      0 .130 .010
PbA2     0     0     .5 .547 .039
KA1      0     0      0 .371 .010
Fe   .1677 .3354  .0830      .022
S1       0     0  .1549      .006
S2       0     0  .6546      .041
O1       0     0  .1987      .027
O2   .2182 .4364  .0270      .027
O3   .1226 .1452 -.0725      .027
O4       0     0  .6981      .027
O5   .2212 .4424  .5258      .027
O6   .1312 .2624  .4355      .027
H1    .141  .282  -.051      .025
H2    .189  .378   .444      .025
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Verplanckite
Download hom/verplanckite.pdf
Basciano L C
 
Master's Thesis, University of British Columbia 1999 (1999) 1-164
Mineralogy and crystal structures of barium silicate minerals
from Fresno County, California
Locality: Esquire #7, Big Creek, Fresno County, California, USA
_database_code_amcsd 0014200
16.300 16.300 7.169 90 90 120 P6/mmm
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .21601 .43202     0      .0247  .0267  .0463  .0129  .0232      0      0
Ba2  .34704      0    .5      .0366  .0226  .0161  .0688  .0081      0      0
MnX  .26051   .521    .5  .67 .0163  .0137  .0267  .0128  .0133      0      0
TiX  .26051   .521    .5  .33 .0163  .0137  .0267  .0128  .0133      0      0
Si   .55601  .1120 .2255      .0165  .0262  .0104  .0076  .0052 -.0005 -.0011
Cl1   .3118      0     0 .409 .0461  .0709  .0196  .0309  .0098      0      0
Cl2     1/3    2/3     0 .760 .0344  .0331  .0331  .0369  .0165      0      0
Cl3   .1418  .2836  .369 .378 .0862  .0349  .0780  .1602  .0390  .0259  .0519
Cl4     1/3    2/3    .5 .600 .0980  .0661  .0661  .1618  .0331      0      0
Cl5    .273      0  .113 .256 .0687  .0782  .0341  .0791  .0171 -.0546      0
O1    .1578  .4954 .3011      .0274  .0258  .0397  .0231  .0212 -.0030 -.0074
O2    .5571  .1142     0      .0587  .1167  .0235  .0047  .0117      0      0
O3       .5      0  .291      .0191  .0242  .0125  .0167  .0063      0      0
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Walstromite
Download hom/walstromite.pdf
Basciano L C
 
Master's Thesis, University of British Columbia 1999 (1999) 1-164
Mineralogy and crystal structures of barium silicate minerals
from Fresno County, California
Locality: Esquire #7, Big Creek, Fresno County, California, USA
_database_code_amcsd 0014201
6.733 9.608 6.685 69.64 102.29 96.89 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .04746 .84872 .32127 .0162  .0176  .0159  .0167  .0026  .0041 -.0063
Ca1   .2751  .5091  .7628 .0164  .0183  .0175  .0164  .0013  .0061 -.0047
Ca2   .4370  .8282  .9441 .0155  .0142  .0189  .0162  .0013  .0054 -.0074
Si1   .2338  .4811  .2860 .0138  .0142  .0148  .0145  .0015  .0065 -.0047
Si2   .4413  .1961  .5134 .0138  .0137  .0158  .0136  .0007  .0055 -.0052
Si3   .0966  .2216  .1530 .0138  .0120  .0161  .0150  .0005  .0057 -.0055
O1    .2301  .1243  .3931 .0160  .0148  .0172  .0161 -.0007  .0039 -.0058
O2    .3597  .3560  .5053 .0166  .0180  .0177  .0158  .0016  .0039 -.0070
O3   -.1004  .1218  .1051 .0164  .0125  .0202  .0177 -.0015  .0042 -.0078
O4    .0452  .3713  .1997 .0156  .0120  .0176  .0193 -.0006  .0052 -.0077
O5   -.2327  .7404  .0296 .0172  .0139  .0206  .0176  .0018  .0061 -.0045
O6    .4926  .9089  .2437 .0178  .0212  .0168  .0156  .0022  .0044 -.0045
O7    .3734  .5565  .1073 .0170  .0163  .0196  .0178 -.0010  .0095 -.0063
O8   .13486  .5862  .3694 .0197  .0230  .0200  .0215  .0026  .0099 -.0094
O9   -.6145  .7663  .6307 .0175  .0182  .0189  .0170  .0011  .0081 -.0053
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Ammoniojarosite
Download hom/ammoniojarosite.pdf
Basciano L C, Peterson R C
 
Mineralogical Magazine 71 (2007) 427-441
The crystal structure of ammoniojarosite, (NH4)Fe3(SO4)2(OH)6 and the crystal chemistry
of the ammoniojarosite-hydronium jarosite solid-solution series
Locality: Synthetic
_database_code_amcsd 0014580
7.3177 7.3177 17.534 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)
N        0      0      0      .010   .012   .012   .007   .006      0      0
Fe     1/6   -1/6   -1/6      .006   .005   .005   .008   .003      0      0
S        0      0  .3059      .006   .006   .006   .006   .003      0      0
O1       0      0  .3891      .009   .011   .011   .007   .005      0      0
O2   .2231 -.2231 -.0564      .009   .011   .011   .009   .008      0      0
O3   .1277 -.1277  .1371      .008   .006   .006   .011   .003   .001   .001
H1    .176  -.176  -.118   .5 .027
H2    .059   .119   .018   .5 .027
H3       0      0  -.047   .5 .027
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Total number of retrieved datasets: 36
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