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Nesquehonite |
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Stephan G W, MacGillavry C H |
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Acta Crystallographica B28 (1972) 1031-1033 |
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The crystal structure of nesquehonite, MgCO3*3H2O |
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Locality: synthetic |
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_database_code_amcsd 0009432 |
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7.7053 5.3673 12.1212 90 90.451 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg .25174 .08872 .15050 .00493 .01310 .00237 -.00023 .00075 -.000235 |
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C .24393 .13607 .40940 .00432 .02413 .00218 -.000005 .000075 -.00036 |
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O1 .26062 .40719 .06257 .01240 .00838 .00454 .001465 .001365 -.00022 |
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O2 .24408 .20582 .30895 .00747 .01108 .00322 -.000395 .00177 -.000935 |
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O3 .25134 .81598 .02076 .00831 .01911 .00251 -.000485 .000305 -.000375 |
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Wat1 .52473 .09140 .15257 .00471 .03222 .00411 -.001145 .00152 -.00049 |
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Wat2 .98257 .09667 .14691 .00593 .04240 .00318 .001285 .000225 .000025 |
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Wat3 .27989 .34792 .83847 .01428 .02616 .00373 .00078 .00164 .00061 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Nesquehonite |
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Giester G, Lengauer C L, Rieck B |
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Mineralogy and Petrology 70 (2000) 153-163 |
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The crystal structure of nesquehonite, MgCO3*3H2O, from Lavrion, Greece |
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Locality: Sounion, Lavrion mining district, Greece |
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_database_code_amcsd 0014644 |
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7.701 5.365 12.126 90 90.41 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .25174 .08904 .14970 .01641 .0232 .0121 .0140 -.00004 .0004 -.00021 |
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C .2440 .13800 .40863 .0169 .0215 .0141 .0152 .0009 .0004 -.0006 |
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O1 .52293 .0924 .15188 .0280 .0245 .0289 .0308 -.007 .0046 .0054 |
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O2 .98342 .0948 .14742 .0335 .0233 .0535 .0237 .0056 -.0021 .0001 |
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O3 .2598 .41104 .06205 .0263 .0476 .0125 .0188 .0012 .0005 -.0007 |
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O4 .24401 .20669 .30691 .0213 .0351 .0148 .0139 -.0008 .0012 -.0005 |
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O5 .25136 .81644 .02004 .0205 .0327 .0146 .0141 .0011 .0011 .0020 |
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O6 .2803 .3498 .83840 .0382 .0508 .0393 .0246 .0003 .0024 -.0020 |
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H1 .582 .153 .100 .043 |
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H2 .575 -.033 .158 .067 |
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H3 .920 .155 .093 .047 |
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H4 .925 .114 .206 .039 |
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H5 .177 .313 .829 .040 |
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H6 .273 .378 .904 .063 |
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| 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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