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Lausenite |
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Majzlan J, Botez C, Stephens P W |
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American Mineralogist 90 (2005) 411-416 |
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The crystal structures of synthetics Fe2(SO4)3(H2O)5 and the type specimen of lausenite |
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_database_code_amcsd 0003736 |
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10.711 11.085 5.5747 90 98.853 90 P2_1/m |
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atom x y z Uiso |
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Fe1 .5 .5 .5 .0222 |
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Fe2 .1262 .75 .8933 .0222 |
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S1 .4056 .75 .2163 .0251 |
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S2 .2233 .0020 .6695 .0251 |
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O1 .4729 .75 .006 .0457 |
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O2 .2689 .75 .139 .0457 |
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O3 .3627 .4928 .705 .0457 |
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O4 .1902 .0657 .876 .0457 |
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O5 .1673 .0399 .430 .0457 |
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O6 .4277 .8529 .3713 .0457 |
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O7 .1855 .6238 .705 .0457 |
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Wat1 .3985 .4147 .209 .0457 |
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Wat2 -.0518 .75 .686 .0457 |
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Wat3 .0536 .8728 .112 .0457 |
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Hydroxylapatite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As0 |
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Locality: synthetic |
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_database_code_amcsd 0004924 |
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9.4212 9.4212 6.8927 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00097 .542 |
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Ca2 .24642 .99283 .25 .542 |
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P .39717 .36792 .25 .542 |
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O1 .32694 .48259 .25 .542 |
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O2 .58687 .46621 .25 .542 |
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O3 .34163 .25520 .06978 .542 |
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OH4 0 0 .1978 .5 .542 |
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Hydroxylapatite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As11 |
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Locality: synthetic |
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_database_code_amcsd 0004925 |
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9.4655 9.4655 6.9068 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00130 .744 |
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Ca2 .24660 .99367 .25 .744 |
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As .39655 .36850 .25 .1101 .744 |
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P .39655 .36850 .25 .8899 .744 |
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O1 .32514 .48279 .25 .744 |
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O2 .58587 .46366 .25 .744 |
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O3 .34162 .25584 .06850 .744 |
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OH4 0 0 .6939 .5 .744 |
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| Download AMC data (View Text File)
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Hydroxylapatite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As24 |
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Locality: synthetic |
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_database_code_amcsd 0004926 |
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9.5075 9.5075 6.9187 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00150 .826 |
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Ca2 .24615 .99407 .25 .826 |
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As .39641 .36822 .25 .2423 .826 |
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P .39641 .36822 .25 .7577 .826 |
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O1 .32208 .48537 .25 .826 |
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O2 .58686 .46258 .25 .826 |
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O3 .34056 .25558 .06641 .826 |
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OH4 0 0 .6946 .5 .826 |
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| Download AMC data (View Text File)
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Hydroxylapatite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As43 |
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Locality: synthetic |
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_database_code_amcsd 0004927 |
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9.5640 9.5640 6.9360 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00332 1.033 |
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Ca2 .24560 .99521 .25 1.033 |
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As .39666 .36810 .25 .4325 1.033 |
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P .39666 .36810 .25 .5675 1.033 |
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O1 .31891 .48632 .25 1.033 |
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O2 .59069 .46372 .25 1.033 |
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O3 .34097 .25623 .06362 1.033 |
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OH4 0 0 .6929 .5 1.033 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Johnbaumite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As66 |
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Locality: synthetic |
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_database_code_amcsd 0004928 |
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9.6311 9.6311 6.9556 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00361 .938 |
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Ca2 .24578 .99645 .25 .938 |
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As .39679 .36873 .25 .6573 .938 |
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P .39679 .36873 .25 .3427 .938 |
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O1 .31574 .48814 .25 .938 |
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O2 .59280 .46464 .25 .938 |
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O3 .33820 .25264 .05984 .938 |
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OH4 0 0 .6955 .5 .938 |
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| Download AMC data (View Text File)
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Johnbaumite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As80 |
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Locality: synthetic |
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_database_code_amcsd 0004929 |
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9.6758 9.6758 6.9732 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00330 .765 |
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Ca2 .24625 .99780 .25 .765 |
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As .39681 .36909 .25 .8015 .765 |
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P .39681 .36909 .25 .1985 .765 |
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O1 .31603 .48819 .25 .765 |
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O2 .59366 .46606 .25 .765 |
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O3 .33941 .25085 .05944 .765 |
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OH4 0 0 .6971 .5 .765 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Johnbaumite |
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Lee Y J, Stephens P W, Tang Y, Li W, Phillips B L, Parise J B, Reeder R J |
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American Mineralogist 94 (2009) 666-675 |
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Arsenate substitution in hydroxylapatite: Structural characterization of the |
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Ca5(PxAs1-xO4)3OH solid solution |
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Sample: As100 |
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Locality: synthetic |
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_database_code_amcsd 0004930 |
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9.7156 9.7156 6.9857 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 1/3 2/3 .00267 1.271 |
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Ca2 .24746 .99831 .25 1.271 |
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As .39816 .37008 .25 1.271 |
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O1 .31975 .49033 .25 1.271 |
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O2 .59742 .46823 .25 1.271 |
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O3 .33588 .24509 .05623 1.271 |
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OH4 0 0 .1919 .5 1.271 |
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| Download AMC data (View Text File)
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Souzalite |
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Le Bail A, Stephens P W, Hubert F |
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European Journal of Mineralogy 15 (2003) 719-723 |
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A crystal structure for the souzalite/gormanite series from synchrotron |
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powder diffraction data |
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Locality: Rapid Creek, Yukon, Canada |
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_database_code_amcsd 0007014 |
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7.2223 11.7801 5.1169 90.158 109.938 81.330 P-1 |
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atom x y z occ Biso |
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Fe 0 0 0 .584 .53 |
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Mg 0 0 0 .416 .53 |
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Mg .9263 .2733 .9729 .542 .53 |
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Fe .9263 .2733 .9729 .458 .53 |
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P1 .2635 .5616 .6124 .79 |
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P2 .1268 .1446 .5604 .79 |
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Al1 0 1/2 0 .858 .23 |
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Fe1 0 1/2 0 .142 .23 |
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Al2 1/2 0 1/2 .23 |
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Al3 .5926 .6975 .5258 .23 |
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O1 .1259 .5844 .3078 .32 |
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O2 .8551 .4225 .1851 .32 |
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O3 .3801 .4370 .6511 .32 |
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O4 .4111 .6520 .6851 .32 |
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O5 .0072 .1420 .7526 .32 |
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O6 .9929 .1411 .2566 .32 |
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O7 .2221 .2546 .6058 .32 |
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O8 .7047 .9636 .3594 .32 |
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OH9 .5181 .8451 .6372 1.94 |
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OH10 .3754 .7443 .1545 .5 1.94 |
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Wat10 .3754 .7443 .1545 .5 1.94 |
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OH11 .7951 .6427 .8911 1.94 |
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OH12 .3184 .9629 .1356 .5 1.94 |
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Wat12 .3184 .9629 .1356 .5 1.94 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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