American Mineralogist Crystal Structure Database

6 matching records for this search.

Bianchite
Download hom/bianchite.pdf
Anderson J L, Peterson R C, Swainson I
 
American Mineralogist 97 (2012) 1905-1914
The atomic structure of deuterated boyleite ZnSO4*4D2O,
ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
Locality: synthetic
_database_code_amcsd 0019606
9.9692 7.2441 24.2493 90 98.488 90 C2/c
atom     x     y     z  Uiso
Zn1     .0    .0    .0  .014
Zn2     .0  .948   .25  .014
S    .8667 .4548 .1258 .0239
O1   .7655 .5937 .1325 .0239
O2   .9896 .4472 .1665 .0239
O3   .9095 .4962 .0727 .0239
O4   .8019 .2757 .1191 .0239
O5   .5939 .7279 .0422 .0239
O6   .5425 .3241 .0639 .0239
O7   .3159 .5495 .0190 .0239
O8   .8779 .1560 .2846 .0239
O9   .8941 .7558 .2840 .0239
O10  .8606 .9453 .1823 .0239
H51  .1559 .2019 .0759 .0546
H52  .0433 .3261 .0541 .0546
H61  .0109 .2848 .9298 .0546
H62  .8945 .1731 .9038 .0546
H71  .2084 .8739 .9530 .0546
H72  .2727 .9730 .0042 .0546
H81  .3192 .6088 .3103 .0546
H82  .4333 .7576 .2959 .0546
H91  .4319 .1405 .2988 .0546
H92  .3051 .2258 .2696 .0546
H101 .6593 .3444 .3433 .0546
H102 .6556 .5525 .3407 .0546
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View JMOL 3-D Structure (permalink)
 
Boyleite
Download hom/boyleite.pdf
Anderson J L, Peterson R C, Swainson I
 
American Mineralogist 97 (2012) 1905-1914
The atomic structure of deuterated boyleite ZnSO4*4D2O,
ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
Locality: synthetic
_database_code_amcsd 0019607
5.9144 13.5665 7.8924 90 90.688 90 P2_1/n
atom    x     y    z  Uiso
Zn   .068 .1014 .219  .005
S    .191  .106 .828  .002
O1   .001 .0473 .756  .024
O2   .250 .0761 .999 .0203
O3   .394 .0918 .718  .024
O4   .130 .2116 .821  .023
Ow1  .368 .0762 .357  .030
H1a  .364 .0850 .473  .039
H1b  .457 .0212 .326  .038
Ow2  .778 .1406 .084  .022
H2a  .673 .1817 .144  .059
H2b  .680  .091 .045  .065
Ow3  .881 .1244 .444  .019
H3a  .804  .185 .454  .047
H3b  .920  .096 .547  .049
Ow4  .180 .2484 .217  .013
H4a  .310 .2658 .285  .029
H4b  .577 .1936 .728  .037
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View JMOL 3-D Structure (permalink)
 
Ilesite
Download hom/ilesite.pdf
Anderson J L, Peterson R C, Swainson I
 
American Mineralogist 97 (2012) 1905-1914
The atomic structure of deuterated boyleite ZnSO4*4D2O,
ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
Locality: synthetic
_database_code_amcsd 0019608
5.9753 13.8186 8.0461 90 90.826 90 P2_1/n
atom    x     y    z Uiso
Mn   .066  .106 .210 .014
S    .195  .106 .823 .002
O1   .008 .0512 .753 .025
O2   .254 .0746 .992 .028
O3   .392 .0967 .715 .025
O4   .144 .2121 .820 .026
Ow1  .375 .0739 .357 .033
Ow2  .760 .1397 .088 .027
Ow3  .884 .1281 .444 .027
Ow4  .180 .2521 .221 .018
H1a  .376  .086 .475 .061
H1b  .466 .0189 .334 .030
H2a  .665 .1906 .147 .061
H2b  .655  .096 .044 .070
H3a  .801 .1870 .461 .038
H3b  .912  .101 .550 .043
H4a  .317  .267 .286 .038
H4b  .589 .1910 .719 .038
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Melanterite
Download hom/melanterite.pdf
Anderson J L, Peterson R C, Swainson I P
Download cm/vol45/CM45_457.pdf
The Canadian Mineralogist 45 (2007) 457-469
The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O
Locality: synthetic
_database_code_amcsd 0006145
14.0774 6.5039 11.0506 90 105.604 90 P2_1/c
atom     x    y    z occ Uiso
Fe1      0    0    0     .006
Fe2     .5   .5    0     .005
S    .2294 .475 .176     .007
O1   .2076 .472 .038     .034
O2   .1415 .537 .215     .015
O3   .3109 .618 .229     .016
O4   .2544 .266 .224     .026
Ow1   .116 .388 .432     .053
Ow2   .106 .954 .182     .034
Ow3   .032 .787 .432     .030
Ow4   .480 .454 .178     .036
Ow5   .433 .283 .442     .038
Ow6   .355 .855 .439     .030
Ow7   .363 .002 .108     .037
D11   .148 .262 .459 .94 .039
H11   .148 .262 .459 .06 .039
D12   .120 .428 .352 .94 .050
H12   .120 .428 .352 .06 .050
D22   .117 .816 .206 .94 .041
H22   .117 .816 .206 .06 .041
D24   .156 .050 .208 .94 .044
H24   .156 .050 .208 .06 .044
D31   .086 .874 .406 .94 .017
H31   .086 .874 .406 .06 .017
D32   .981 .882 .382 .94 .038
H32   .981 .882 .382 .06 .038
D43   .425 .520 .202 .94 .033
H43   .425 .520 .202 .06 .033
D47   .531 .464 .253 .94 .051
H47   .531 .464 .253 .06 .051
D54   .377 .286 .368 .94 .040
H54   .377 .286 .368 .06 .040
D57   .414 .309 .509 .94 .005
H57   .414 .309 .509 .06 .005
D6l   .300 .919 .403 .94 .033
H6l   .300 .919 .403 .06 .033
D63   .334 .774 .368 .94 .050
H63   .334 .774 .368 .06 .050
D74   .322 .080 .149 .94 .042
H74   .322 .080 .149 .06 .042
D76   .335 .884 .093 .94 .096
H76   .335 .884 .093 .06 .096
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View JMOL 3-D Structure (permalink)
 
Goslarite
Download hom/goslarite.pdf
Anderson J L, Peterson R C, Swaison I P
 
Mineralogical Magazine 69 (2005) 259-271
Combined neutron powder and X-ray single-crystal diffraction refinement of the
atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O)
Note: Single crystal X-ray diffraction
Locality: Synthetic
_database_code_amcsd 0020459
11.728 11.973 6.772 90 90 90 P2_12_12_1
atom     x     y     z Uiso
Zn   .4223 .1061 .0399 .024
S    .7266 .1830 .4908 .023
O1   .6851 .0753 .4263 .042
O2   .8511 .1860 .4829 .033
O3   .6886 .2047 .6924 .037
O4   .6803 .2713 .3631 .031
Ow1  .2608 .1707 .0047 .033
Ow2  .4712 .2515 .1939 .026
Ow3  .4682 .1726 .7731 .034
Ow4  .5853 .0488 .0737 .039
Ow5  .3730 .9600 .8909 .032
Ow6  .3642 .0360 .2968 .041
Ow7  .5097 .9376 .5657 .038
H13   .246  .229  .085  .07
H14   .246  .193  .908  .04
H22   .412  .276  .284  .07
H24   .536  .250  .246  .06
H32   .436  .214  .710  .05
H33   .542  .195  .738  .08
H41   .629  .068  .197  .13
H42   .615  .004  .026  .06
H54   .369  .903  .962  .07
H57   .415  .945  .824  .04
H65   .310  .035  .314  .04
H67   .404  .995  .378  .10
H71   .568  .975  .560  .06
H72   .518  .874  .515  .08
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Goslarite
Download hom/goslarite.pdf
Anderson J L, Peterson R C, Swaison I P
 
Mineralogical Magazine 69 (2005) 259-271
Combined neutron powder and X-ray single-crystal diffraction refinement of the
atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O)
Note: Combined neutron powder X-ray refinement
Locality: Synthetic
_database_code_amcsd 0020460
11.8176 12.0755 6.8270 90 90 90 P2_12_12_1
atom     x     y     z Uiso
Zn   .4223 .1060 .0402 .019
S    .7271 .1829 .4908 .020
O1   .6844 .0734 .4241 .036
O2   .8515 .1859 .4817 .029
O3   .6900 .2070 .6960 .034
O4   .6794 .2725 .3597 .023
Ow1  .2609 .1739 .0027 .028
Ow2  .4718 .2513 .1973 .020
Ow3  .4690 .1736 .7681 .027
Ow4  .5879 .0473 .0740 .031
Ow5  .3742 .9564 .8883 .023
Ow6  .3632 .0352 .3003 .031
Ow7  .4890 .4389 .9346 .035
H13   .224  .211  .115 .108
H14   .241  .219  .893 .108
H22   .420  .274  .287 .108
H24   .547  .251  .224 .108
H32   .417  .212  .688 .108
H33   .542  .188  .746 .108
H41   .631  .048  .203 .108
H42   .611  .030  .021 .108
H54   .356  .899  .972 .108
H57   .413  .917  .777 .108
H65   .295  .017  .328 .108
H67   .411  .968  .349 .108
H71   .582  .977  .574 .108
H72   .537  .866  .560 .108
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: 6
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