American Mineralogist Crystal Structure Database

5 matching records for this search.

Coquimbite
Download hom/coquimbite.pdf
Fang J H, Robinson P D
Download am/vol55/AM55_1534.pdf
American Mineralogist 55 (1970) 1534-1540
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The
crystal structure of coquimbite
_database_code_amcsd 0000211
10.922 10.922 17.084 90 90 120 P-31c
atom     x     y     z occ Biso
Al       0     0     0  .9 1.07
Fe       0     0     0  .1 1.07
Fe1  .3333 .6667   .25     1.71
Fe2  .6667 .3333 .0025     2.19
S    .2444 .4146 .1232     0.49
O1   .3187 .3451 .0909     1.42
O2   .1081 .3106 .1548     1.03
O3   .2197 .4946 .0597     1.21
O4   .3349 .5158 .1838      .74
Wat1 .1645 .0698 .0622     1.18
Wat2 .4485 .1153 .2101     1.71
Wat3 .5720 .1616 .0720     1.70
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Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: La Alcaparrosa, Chile
_database_code_amcsd 0006334
10.9370 10.9370 17.0813 90 90 120 P-31c
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0 .761 .01350 .01171 .01171 .01707 .00586       0       0
Fe1        0       0       0 .239 .01350 .01171 .01171 .01707 .00586       0       0
Fe2      1/3     2/3     .25      .01147 .01087 .01087 .01265 .00544       0       0
Fe3      2/3     1/3 .002498      .01703 .01800 .01800 .01508 .00900       0       0
S    .244809 .415175 .123067      .01412 .01402 .01139 .01586 .00554 -.00059 -.00226
O1    .31847  .34563  .09110      .02376 .02056 .01930  .0325 .01076 -.00008 -.00920
O2    .10858  .31136  .15507      .02223 .01748 .01813  .0239 .00352  .00309  .00037
O3    .21976  .49418  .06020      .02146 .02232 .01950 .01972 .00832 -.00414  .00171
O4    .33579  .51624  .18451      .01732 .01841 .01524 .01858 .00861 -.00413 -.00573
OW1   .16668  .07066  .06225      .02367 .02285 .01619  .0306 .00870 -.00893 -.00207
OW2   .44922  .11635  .20994      .03175  .0313  .0268  .0314 .01032  .00318 -.00226
OW3   .57200  .16221  .07123      .02949 .03932 .02753  .0273 .02098  .01408  .01067
H11    .1851   .0205   .0924        .085
H12    .2264   .1545   .0760        .073
H21    .3722   .0384   .2091        .040
H22a   .5068   .1020   .2363  .50   .044
H22b   .4342   .1729   .2362  .50   .034
H31    .5930   .0987   .0751        .060
H32    .5317   .1528   .1142        .041
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View JMOL 3-D Structure (permalink)
 
Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Locality: the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA
_database_code_amcsd 0006335
10.9170 10.9170 17.0829 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al1        0       0       0     .01316 .01100 .01100  .0175 .00550       0       0
Fe2      1/3     2/3     1/4     .01144 .01042 .01042 .01348 .00521       0       0
Fe3      2/3     1/3 .002517     .01706 .01755 .01755 .01608 .00877       0       0
S    .244517 .414763 .122984     .01394 .01348 .01082 .01620 .00508 -.00077 -.00228
O1    .31821  .34525  .09071     .02331  .0195  .0187  .0328 .01033  -.0003  -.0094
O2    .10820  .31058  .15487     .02144  .0170  .0170  .0235 .00338   .0030  -.0002
O3    .21931  .49404  .06011     .02054  .0219  .0182  .0189 .00809  -.0036   .0013
O4    .33546  .51568  .18451     .01702  .0182  .0150  .0181 .00852  -.0042 -.00564
OW1   .16438  .06998  .06151     .02145  .0201  .0150  .0278 .00764  -.0087  -.0017
OW2   .44923  .11635  .20975      .0308  .0290  .0259  .0317  .0094   .0029  -.0030
OW3   .57172  .16237  .07102     .02932  .0388  .0275  .0275 .02090   .0137   .0098
H11    .1831   .0150   .0869       .063
H12    .2194   .1551   .0745       .050
H21    .3735   .0379   .2063       .040
H22a   .5162   .1104   .2314  .5   .056
H22b   .4202   .1623   .2356  .5   .075
H31    .5968   .1011   .0728       .055
H32    .5318   .1471   .1152       .063
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Coquimbite
Download hom/coquimbite.pdf
Demartin F, Castellano C, Gramaccioli C M, Campostrini I
 
The Canadian Mineralogist 48 (2010) 323-333
Aluminum-for-iron substitution, hydrogen bonding,
and a novel structure-type in coquimbite-like minerals
Note: sample vulc1
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy
_database_code_amcsd 0006336
10.9100 10.9100 17.0625 90 90 120 P-31c
atom       x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al1        0       0       0     .01276 .01039 .01039  .0175 .00520       0      0
Fe2      1/3     2/3     .25     .01068 .00999 .00999 .01206 .00500       0      0
Fe3      2/3     1/3 .002502     .01723 .01792 .01792 .01584 .00896       0      0
S    .244618 .414813 .122883     .01328 .01313 .01027 .01524 .00495 -.00073  .0241
O1    .31831  .34528  .09069     .02288  .0198  .0181  .0321 .01051  -.0001 -.0099
O2    .10784  .31042  .15472     .02127  .0165  .0175  .0230 .00328   .0032 -.0003
O3    .21952  .49428  .06010     .02057  .0212  .0194  .0183 .00812  -.0044  .0012
O4    .33561  .51557  .18440     .01649  .0180  .0146  .0179 .00896  -.0040 -.0055
OW1   .16433  .06986  .06158     .02104  .0198  .0141  .0280 .00756  -.0084 -.0016
OW2   .44934  .11625  .20976      .0307  .0292  .0263  .0308  .0095   .0034 -.0022
OW3   .57197  .16249  .07096     .02909  .0386  .0275  .0276 .02129   .0136  .0100
H11    .1828   .0143   .0866       .063
H12    .2182   .1551   .0749       .058
H21    .3721   .0379   .2081       .042
H22a   .5170   .1125   .2319  .5   .041
H22b   .4203   .1621   .2362  .5   .090
H31    .5964   .1003   .0732       .052
H32    .5298   .1448   .1145       .067
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Coquimbite
Download hom/coquimbite.pdf
Majzlan J, Navrotsky A, McCleskey R B, Alpers C N
 
European Journal of Mineralogy 18 (2006) 175-186
Thermodynamic properties and crystal structure refinement of
ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5
Locality: synthetic
_database_code_amcsd 0007144
10.9153 10.9153 17.0770 90 90 120 P-31c
atom     x     y     z  occ  Uiso
Fe1      0     0     0 .086 .0353
Al1      0     0     0 .914 .0353
Fe2    1/3   2/3   1/4      .0353
Fe3    2/3   1/3 .0033 .928 .0353
Al3    2/3   1/3 .0033 .072 .0353
S    .2451 .4145 .1225      .0339
O1   .3191 .3452 .0918      .0401
O2   .1056 .3076 .1552      .0401
O3   .2235 .4942 .0587      .0401
O4   .3360 .5145 .1833      .0401
Wat5 .1653 .0702 .0635      .0401
Wat6 .4512 .1187 .2122      .0401
Wat7 .5698 .1613 .0737      .0401
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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Total number of retrieved datasets: 5
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