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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Johnbaumite |
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Biagioni C, Pasero M |
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American Mineralogist 98 (2013) 1580-1584 |
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The crystal structure of johnbaumite, Ca5(AsO4)3OH, |
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the arsenate analogue of hydroxylapatite |
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Locality: Harstigen mine, Varmland, Sweden |
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_database_code_amcsd 0020732 |
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9.7199 9.7221 6.9651 90.077 90.051 119.944 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As .3994 .3714 .25 .93 .0078 .0077 .0062 .0090 .0031 0 0 |
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P .3994 .3714 .25 .07 .0078 .0077 .0062 .0090 .0031 0 0 |
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Ca 1/3 2/3 .0028 .0151 .0183 .0183 .0086 .0091 0 0 |
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Ca .2448 .9993 .25 .0127 .0117 .0140 .0115 .0056 0 0 |
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O1 .3254 .4929 .25 .0166 .0210 .0100 .0203 .0090 0 0 |
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O2 .5992 .4706 .25 .0213 .0097 .0140 .0379 .0043 0 0 |
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O3 .3410 .2512 .4407 .0270 .0488 .0206 .0173 .0216 .0154 .0052 |
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OH 0 0 .216 .5 .019 .0055 .0055 .046 .0028 0 0 |
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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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