American Mineralogist Crystal Structure Database

3 matching records for this search.

Pentahydrite
Download hom/pentahydrite.pdf
Peterson R C, Hammarstrom J M, Seal R R
Download am/vol91/AM91_261.pdf
American Mineralogist 91 (2006) 261-269
Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
pentahydrite: Their occurrence within mine waste
Locality: Big Mike mine, Nevada, USA
_database_code_amcsd 0004016
6.2490 10.5846 6.0384 82.461 109.433 104.805 P-1
atom     x     y     z occ Uiso
Mg1      0     0     0  .2 .049
Cu1      0     0     0  .8 .049
Mg2     .5    .5     0  .7 .048
Cu2     .5    .5     0  .3 .048
S    .0363 .2884 .6392     .036
O1    .910 .1601  .669     .037
O2    .261 .3232  .842     .037
O3    .872 .3715  .638     .037
O4    .051 .2981  .408     .037
Wat1  .820 .0683  .173     .037
Wat2  .314 .1172  .174     .037
Wat3  .530 .5959  .672     .037
Wat4  .232 .5913  .981     .037
Wat5  .453 .1276  .648     .037
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Pentahydrite
Download hom/pentahydrite.pdf
Peterson R C, Hammarstrom J M, Seal R R
Download am/vol91/AM91_261.pdf
American Mineralogist 91 (2006) 261-269
Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
pentahydrite: Their occurrence within mine waste
Locality: Miami, Arizona, USA
_database_code_amcsd 0004017
6.2470 10.5995 6.0395 82.530 109.408 104.794 P-1
atom     x     y     z occ Uiso
Mg1      0     0     0  .1 .056
Cu1      0     0     0  .9 .056
Mg2     .5    .5     0  .7 .037
Cu2     .5    .5     0  .3 .037
S    .0368 .2935 .6402     .039
O1    .911 .1662  .666     .037
O2    .263 .3227  .847     .037
O3    .872 .3720  .639     .037
O4    .053 .2958  .411     .037
Wat1  .821 .0687  .178     .037
Wat2  .312 .1161  .173     .037
Wat3  .535 .5917  .671     .037
Wat4  .230 .5917  .988     .037
Wat5  .446 .1289  .647     .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)
 
Pentahydrite
Download hom/pentahydrite.pdf
Baur W H, Rolin J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=1448
Acta Crystallographica B28 (1972) 1448-1455
Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate
pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate
Locality: synthetic
_database_code_amcsd 0009436
6.314 10.505 6.030 81.12 109.82 105.08 P-1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0       .0093  .0018  .0078 -.0005 -.0022 -.0002
Mg2     .5    .5     0       .0068  .0018  .0061  .0006  .0022 -.0002
S    .0371 .2897 .6624       .0060  .0017  .0053  .0003  .0012  .0000
O1   .9464 .1509 .7309       .0125  .0023  .0104 -.0010  .0014  .0015
O2   .2680 .3344 .8331       .0083  .0028  .0128 -.0002 -.0019 -.0014
O3   .8808 .3711 .6610       .0126  .0046  .0128  .0044  .0036 -.0008
O4   .0590 .2986 .4256       .0135  .0038  .0074 -.0012  .0056 -.0003
O5   .8279 .0768 .1639       .0192  .0039  .0186 -.0004  .0114 -.0032
O6   .3086 .1139 .1848       .0149  .0032  .0119 -.0008  .0012 -.0006
O7   .4745 .4042 .3153       .0118  .0052  .0085  .0013  .0028  .0016
O8   .7567 .4077 .0318       .0118  .0063  .0104  .0047  .0022 -.0006
O9   .4589 .1324 .6699       .0113  .0051  .0178  .0009  .0035  .0006
H54   .908  .146  .260  2.5
H59   .724  .023  .230  2.5
H62   .331  .192  .117  1.9
H69   .336  .148  .321  1.9
H73   .562  .402  .411  1.8
H74   .350  .392  .349  1.8
H83   .786  .385  .919  2.1
H84   .842  .374  .179  2.1
H91   .585  .115  .733  2.2
H92   .433  .201  .706  2.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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