American Mineralogist Crystal Structure Database

12 matching records for this search.

Alunite
Download hom/alunite.pdf
Hendricks S B
Download am/vol22/AM22_773.pdf
American Mineralogist 22 (1937) 773-784
The crystal structures of alunite and the jarosites
_database_code_amcsd 0000016
6.96 6.96 17.35 90 90 120 R-3m
atom    x     y     z
K       0     0     0
S       0     0  .305
Al      0    .5    .5
O1      0     0  .393
O2   .215 -.215 -.058
OH3  .150 -.150  .126
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Pabst A
Download am/vol32/AM32_16.pdf
American Mineralogist 32 (1947) 16-30
Some computations on svanbergite, woodhouseite and alunite
_database_code_amcsd 0000037
7.058 7.058 7.058 59.08 59.08 59.08 R-3m
atom     x    y    z
K        0    0    0
Al      .5    0    0
S     .305 .305 .305
O1    .393 .393 .393
O2    .512 .157 .157
OH3  -.174 .276 .276
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Majzlan J, Speziale S, Duffy T S, Burns P C
 
Physics and Chemistry of Minerals 33 (2006) 567-573
Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6
_database_code_amcsd 0009047
6.9741 6.9741 17.190 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)
S        0      0 .30380      .0066  .0067  .0067  .0065  .0033      0      0
Al       0    1/2    1/2 .989 .0068  .0047  .0059  .0095  .0023  .0001  .0000
O1       0      0  .3882      .0110  .0133  .0133  .0062  .0067      0      0
O2   .2182 -.2182 -.0591      .0099  .0117  .0117  .0099  .0084 -.0004  .0004
O3   .1258 -.1258  .1400      .0086  .0060  .0060  .0135  .0028  .0010 -.0010
K        0      0      0 .805 .0140  .0159  .0159  .0104  .0080      0      0
Na       0      0      0 .132 .0140  .0159  .0159  .0104  .0080      0      0
O4       0      0      0 .063 .0140  .0159  .0159  .0104  .0080      0      0
H     .178  -.178   .118      .0332
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 25 C
Locality: Hungary
_database_code_amcsd 0018984
6.9749 6.9749 17.315 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)
KA        0       0       0 .876 .013   .014      0   .010   .007      0      0
NaA       0       0       0 .071 .013   .014      0   .010   .007      0      0
HA        0       0       0 .159 .013   .014      0   .010   .007      0      0
OA        0       0       0 .053 .013   .014      0   .010   .007      0      0
Al        0      .5      .5 .988 .006   .004   .005   .009      0      0   .002
S         0       0  .30282      .006   .006      0   .007   .003      0      0
O1        0       0  .38666      .011   .013      0   .007   .007      0      0
O2   .21823 -.21823 -.05997      .009   .011   .011   .010   .008      0      0
O3   .12604 -.12604  .14024      .008   .006   .006   .012   .003   .001   .001
H     .1879  -.1879   .1165      .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)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 100 C
Locality: Hungary
_database_code_amcsd 0018985
6.9771 6.9771 17.360 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)
KA        0       0       0 .876 .016   .017      0   .012   .009      0      0
NaA       0       0       0 .071 .016   .017      0   .012   .009      0      0
HA        0       0       0 .147 .016   .017      0   .012   .009      0      0
OA        0       0       0 .049 .016   .017      0   .012   .009      0      0
Al        0      .5      .5 .975 .007   .004   .006   .010   .002      0      0
S         0       0  .30257      .008   .008      0   .009   .004      0      0
O1        0       0  .38589      .013   .016      0   .009   .008      0      0
O2   .21840 -.21840 -.06021      .011   .013   .013   .012   .010      0      0
O3   .12598 -.12598  .14029      .010   .007   .007   .015   .003   .001   .001
H     .1830  -.1830   .1090      .034
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 200 C
Locality: Hungary
_database_code_amcsd 0018986
6.9806 6.9806 17.425 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)
KA        0       0       0 .876 .020   .023      0   .015   .011      0      0
NaA       0       0       0 .071 .020   .023      0   .015   .011      0      0
HA        0       0       0 .117 .020   .023      0   .015   .011      0      0
OA        0       0       0 .039 .020   .023      0   .015   .011      0      0
Al        0      .5      .5 .972 .008   .006   .007   .012   .003      0      0
S         0       0  .30215      .010   .010      0   .005   .009      0      0
O1        0       0  .38517      .017   .021      0   .009   .010      0      0
O2   .21847 -.21847 -.06042      .014   .017   .017   .014   .012   .001   .001
O3   .12604 -.12604  .14035      .012   .009   .009   .017   .004   .002   .002
H     .1835  -.1835   .1108      .037
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 300 C
Locality: Hungary
_database_code_amcsd 0018987
6.9859 6.9859 17.481 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)
KA        0       0       0 .876 .023   .027      0   .017   .013      0      0
NaA       0       0       0 .071 .023   .027      0   .017   .013      0      0
Al        0      .5      .5 .963 .010   .007   .009   .014   .003      0      0
S         0       0  .30179      .012   .012      0   .011   .006      0      0
O1        0       0  .38430      .021   .025      0   .011   .013      0      0
O2   .21854 -.21854 -.06078      .017   .020   .020   .016   .014      0      0
O3   .12611 -.12611  .14039      .015   .011   .011   .020   .005   .002   .002
H     .1840  -.1840   .1110      .041
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 400 C
Locality: Hungary
_database_code_amcsd 0018988
6.9897 6.9897 17.574 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)
KA        0       0       0 .876 .028   .032      0   .020   .016      0      0
NaA       0       0       0 .071 .028   .032      0   .020   .016      0      0
Al        0      .5      .5 .964 .012   .008   .010   .017   .004      0      0
S         0       0  .30142      .014   .014      0   .015   .007      0      0
O1        0       0  .38341      .024   .029      0   .014   .015      0      0
O2   .21866 -.21866 -.06115      .021   .024   .024   .020   .017   .001   .001
O3   .12616 -.12616  .14040      .017   .013   .013   .024   .005   .002   .002
H     .1838  -.1838   .1111      .048
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 450 C
Locality: Hungary
_database_code_amcsd 0018989
6.9916 6.9916 17.621 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)
KA        0       0       0 .876 .031   .035      0   .023   .017      0      0
NaA       0       0       0 .071 .031   .035      0   .023   .017      0      0
Al        0      .5      .5 .972 .013   .009   .011   .019   .005      0      0
S         0       0  .30118      .015   .016      0   .016   .007      0      0
O1        0       0  .38311      .026   .030      0   .017   .015      0      0
O2   .21872 -.21872 -.06135      .022   .025   .025   .023   .018   .001   .001
O3   .12624 -.12624  .14042      .018   .013   .013   .026   .005   .002   .002
H     .1837  -.1837   .1104      .061
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 500 C
Locality: Hungary
_database_code_amcsd 0018990
6.9935 6.9935 17.640 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)
KA        0       0       0 .876 .033   .029      0   .042   .014      0      0
NaA       0       0       0 .071 .033   .029      0   .042   .014      0      0
Al        0      .5      .5 .932 .026   .011   .013   .054   .005   .001   .001
S         0       0   .3010      .030   .019      0   .051   .009      0      0
O1        0       0   .3827      .041   .035      0   .053   .018      0      0
O2    .2186  -.2186  -.0619      .035   .032   .032   .048   .021   .001   .001
O3    .1266  -.1266   .1403      .034   .016   .016   .067   .007   .001   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.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: Montioni, Toscana, Italy
_database_code_amcsd 0014755
7.020 7.020 17.223 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  .97 .00742 .00742 .00061 .00371       0       0
Al        0      .5      .5  .38 .00181 .00228 .00043 .00091 -.00005 -.00002
S         0       0  .30290  .47 .00328 .00328 .00037 .00164       0       0
O1        0       0  .38715  .70 .00599 .00599 .00029 .00299       0       0
O2   .21788 -.21788 -.05998  .60 .00525 .00525 .00045 .00406 -.00011  .00011
Oh   .12587 -.12587  .14256  .55 .00273 .00273 .00065 .00106  .00023 -.00023
H      .174   -.174    .120 1.34
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alunite
Download hom/alunite.pdf
Schukow H, Breitinger D K, Zeiske T, Kubanek F, Mohr J, Schwab R G
 
Zeitschrift fur Anorganische und Allgemeine Chemie 625 (1999) 1047-1050
Localization of hydrogen and content of oxonium cations in alunite via neutron
diffraction
Locality: synthetic
Sample: T = 2 K
_database_code_amcsd 0015817
6.943 6.943 17.227 90 90 120 R-3m
atom       x       y       z  occ Biso
K          0       0       0 .875  .57
Al        .5       0      .5       .69
S          0       0  .30353       .38
Ohyd1      0       0       0 .125  .84
O2         0       0  .38667       .86
O3    .21911 -.21911 -.05952       .60
O4    .12501 -.12501  .14208       .57
D     .19506  .19506  .11278      1.53
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 12
View in amc, download in amc

Return to AMCSD Home Page