American Mineralogist Crystal Structure Database

3 matching records for this search.

Rhomboclase
Download hom/rhomboclase.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 0007142
9.7226 18.2800 5.4270 90 90 90 Pnma
atom     x     y     z  occ  Uiso
Fe       0     0     0      .0296
S    .2375 .0868 .2849      .0330
O1   .3264 .0217  .343      .0446
O2   .0932 .0557  .253      .0446
O3   .2881 .1203  .063      .0446
O4   .2269 .1329  .505      .0446
Wat5 .4884 .0869  .733  .75 .0446
OH35 .4884 .0869  .733  .25 .0446
Wat6 .6318   1/4  .550  .75 .0446
OH36 .6318   1/4  .550  .25 .0446
Wat7 .3916   1/4  .584 .671 .0446
OH37 .3916   1/4  .584 .224 .0446
Wat8  .428   1/4  .141 .079 .0446
OH38  .428   1/4  .141 .026 .0446
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ferricopiapite
Download hom/ferricopiapite.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 0007143
7.3867 18.363 7.3275 93.940 102.201 98.916 P-1
atom     x      y     z  occ  Uiso
Fe1      0      0     0 .619 .0299
Fe2  .7852 .31526 .5522      .0299
Fe3  .5975 .67010 .8063      .0299
S1   .8347  .7377 .2221      .0347
S2   .8202  .4161 .2173      .0347
S3   .6417  .1943 .1948      .0347
O1    .741  .6755  .076      .0458
O2    .685  .7644  .302      .0458
O3    .053  .2961  .626      .0458
O4    .055  .2053  .856      .0458
O5    .621  .3915  .114      .0458
O6    .836  .4896  .323      .0458
O7    .883  .3609  .342      .0458
O8    .937  .4245  .081      .0458
O9    .560  .1156  .167      .0458
O10   .510  .7613  .869      .0458
O11   .791  .2163  .091      .0458
O12   .723  .2169  .402      .0458
O13   .468  .6594  .543      .0458
O14   .692  .2725  .764      .0458
O15   .866  .4144  .722      .0458
O16   .225  .9516  .080      .0458
O17   .696  .5723  .758      .0458
O18   .041  .9885  .737      .0458
O19   .834  .7266  .731      .0458
O20   .173  .0938  .061      .0458
O21   .768  .9160  .444      .0458
O22   .536  .5621  .284      .0458
O23   .642  .0732  .593      .0458
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: 3
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