American Mineralogist Crystal Structure Database

2 matching records for this search.

Konyaite
Download hom/konyaite.pdf
Leduc E M S, Peterson R C, Wang R
Download am/vol94/AM94_1005.pdf
American Mineralogist 94 (2009) 1005-1011
The crystal structure and hydrogen bonding of synthetic konyaite, Na2Mg(SO4)2*5H2O
Locality: synthetic
_database_code_amcsd 0004958
5.7690 23.951 8.0460 90 95.425 90 P2_1/c
atom      x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .2203 .5495 .5513 .016   .019   .015   .014  -.001  -.004  -.001
Na2   .1837 .4453 .8445 .017   .020   .016   .014  -.001   .000   .001
Mg    .5349 .6408 .8182 .010   .010   .010   .010   .000   .000   .000
S1    .2878 .4911 .2009 .009   .010   .010   .009   .000   .000   .000
S2    .0047 .6677 .3255 .011   .010   .010   .011   .000   .000   .001
O1   -.0458 .6177 .4224 .017   .015   .014   .024   .000   .004   .006
O2    .0538 .6495 .1567 .018   .016   .027   .012   .003   .000  -.003
O3   -.1972 .7055 .3113 .016   .015   .013   .021   .004  -.002  -.002
O4    .2114 .6969 .4066 .016   .016   .016   .016  -.005  -.005   .002
O5    .1067 .4956 .3174 .016   .015   .017   .015  -.002   .004  -.004
O6    .2264 .5270 .0562 .017   .021   .014   .015   .000  -.002   .005
O7    .2935 .4325 .1386 .013   .015   .011   .014   .002  -.001  -.001
O8    .5153 .5067 .2860 .016   .013   .016   .017  -.002  -.003  -.001
Ow1   .2162 .6019 .8060 .013   .011   .013   .014   .001   .002   .003
Ow2   .5383 .6245 .5616 .015   .014   .018   .012   .003   .003   .002
Ow3   .8470 .6825 .8560 .014   .014   .013   .015  -.002  -.002   .002
Ow4   .5039 .6514 .0720 .021   .014   .034   .015  -.009   .005  -.010
Ow5   .3687 .7133 .7400 .017   .021   .013   .016   .006  -.002  -.002
H1A    .107  .622  .802 .028
H1B    .207  .582  .872 .033
H2A    .471  .648  .503  .04
H2B    .669  .622  .524 .033
H3A    .909  .680  .944 .016
H3B    .839  .718  .844 .042
H4A    .574  .675  .138 .031
H4B    .374  .650  .106 .031
H5A    .324  .739  .792 .024
H5B    .301  .715  .651  .06
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Konyaite
Download hom/konyaite.pdf
Mills S J, Wilson S A, Dipple G M, Raudsepp M
 
Mineralogical Magazine 74 (2010) 903-917
The decomposition of konyaite: importance in CO2 fixation in mine tailings
Locality: synthetic
_database_code_amcsd 0017884
5.7594 23.914 8.0250 90 95.288 90 P2_1/c
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Na1   .27761  .45040 -.04907  .0240  .0281  .0207  .0218  -.0002 -.0057  -.0023
Na2  -.31311  .44526  .34401  .0244  .0289  .0230  .0207  -.0015 -.0005   .0006
Mg1   .03518  .64080  .31838 .01360  .0123  .0127  .0157   .0000  .0007  -.0006
S1    .21295 .509125  .29840 .01293  .0129  .0113  .0144  .00049  .0004 -.00046
S2    .49462 .332195  .17467 .01510  .0137  .0133  .0180 -.00028 -.0003  .00038
O1     .2066  .56761   .3603  .0181  .0201  .0130  .0207   .0035 -.0015  -.0032
O2    -.2828  .60147   .3067  .0176  .0133  .0187  .0208  -.0022  .0014   .0020
O3     .0403  .62514   .0618  .0208  .0193  .0253  .0183   .0043  .0047   .0037
O4     .3462  .68275   .3573  .0212  .0191  .0171  .0266  -.0029 -.0019   .0007
O5     .2715  .47355   .4428  .0248  .0300  .0189  .0244   .0004 -.0035   .0082
O6     .3943  .50444   .1832  .0229  .0213  .0250  .0237  -.0022  .0091  -.0066
O7    -.0127  .49378   .2132  .0222  .0167  .0225  .0259  -.0030 -.0061  -.0009
O8    -.1336  .71310   .2410  .0244  .0292  .0177  .0251   .0055 -.0046  -.0017
O9     .0042  .65095   .5725  .0303  .0196  .0489  .0233  -.0117  .0058  -.0147
O10    .6961  .29487   .1884  .0252  .0210  .0177  .0356   .0061 -.0045  -.0043
O11    .2895  .30311   .0934  .0253  .0221  .0234  .0285  -.0076 -.0083   .0042
O12    .5440  .38201   .0786  .0263  .0218  .0176  .0402  -.0004  .0064   .0102
O13    .4449  .35015   .3428  .0283  .0215  .0439  .0194   .0056  .0014  -.0044
H1     -.214   .7134    .143   .039
H2     -.138   .6461    .607   .068
H3     -.290   .5810    .391   .045
H4      .180   .6215    .023   .047
H5      .434   .6798    .460   .055
H6     -.411   .6201    .297   .036
H7      .065   .6791    .638   .071
H8     -.178   .7398    .308   .060
H9      .330   .7186    .349   .065
H10    -.029   .6539    .004   .073
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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