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Carbonate-hydroxylapatite |
 |
Fleet M E, Liu X, King P L |
 |
American Mineralogist 89 (2004) 1422-1432 |
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Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
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of crystals synthesized at 2-4 GPa |
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Sample: xt371 |
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_database_code_amcsd 0003642 |
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9.4803 9.4803 6.8853 90 90 120 P6_3/m |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .0021 .0179 |
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Ca2 .99093 .24944 .25 .0222 |
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P .3708 .4014 .25 .943 .0160 |
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O1 .4847 .3313 .25 .0198 |
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O2 .4657 .5856 .25 .0368 |
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O3 .2608 .3459 .0723 .971 .0430 |
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O4 0 0 .25 .36 .025 |
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C 0 0 0 .26 .025 |
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OA11 .028 .998 .662 .105 .025 |
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OA12 .953 .123 .536 .049 .025 |
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OA2 .911 .015 .461 .062 .025 |
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OB3 .359 .435 .472 .034 .025 |
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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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Carbonate-hydroxylapatite |
|
Fleet M E, Liu X, King P L |
|
American Mineralogist 89 (2004) 1422-1432 |
|
Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
|
of crystals synthesized at 2-4 GPa |
|
Sample: xt373 |
|
_database_code_amcsd 0003643 |
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9.4817 9.4817 6.8843 90 90 120 P6_3/m |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .00210 .0175 |
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Ca2 .99095 .24961 .25 .0214 |
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P .3709 .4014 .25 .941 .0150 |
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O1 .4847 .3310 .25 .0190 |
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O2 .4658 .5855 .25 .0356 |
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O3 .2605 .3460 .0727 .971 .0412 |
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O4 0 0 .25 .122 .025 |
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C 0 0 0 .22 .025 |
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OA11 .023 .000 .661 .098 .025 |
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OA12 .946 .123 .525 .057 .025 |
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OA2 .925 .021 .455 .065 .025 |
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OB3 .348 .421 .477 .041 .025 |
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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) |
| |
|
Carbonate-hydroxylapatite |
|
Fleet M E, Liu X, King P L |
|
American Mineralogist 89 (2004) 1422-1432 |
|
Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
|
of crystals synthesized at 2-4 GPa |
|
Sample: xt372 |
|
_database_code_amcsd 0003644 |
|
9.4234 9.4234 6.8801 90 90 120 P6_3/m |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .0017 .0148 |
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Ca2 .99304 .24700 .25 .0137 |
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P .3688 .3988 .25 .976 .0101 |
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O1 .4845 .3289 .25 .0150 |
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O2 .4649 .5866 .25 .0200 |
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O3 .2580 .3432 .0714 .988 .0240 |
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O4 0 0 .1950 .5 .023 |
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H 0 0 .053 .72 .023 |
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OB3 .36 .43 .47 .014 .025 |
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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) |
| |
|
Carbonate-hydroxylapatite |
|
Fleet M E, Liu X, King P L |
|
American Mineralogist 89 (2004) 1422-1432 |
|
Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
|
of crystals synthesized at 2-4 GPa |
|
Sample: xt374 |
|
_database_code_amcsd 0003645 |
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9.4468 9.4468 6.8806 90 90 120 P6_3/m |
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atom x y z occ Uiso |
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Ca1 2/3 1/3 .0018 .0156 |
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Ca2 .99268 .24830 .25 .0158 |
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P .3689 .3993 .25 .0130 |
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O1 .4845 .3287 .25 .0151 |
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O2 .4649 .5862 .25 .0234 |
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O3 .2587 .3435 .0710 .0285 |
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O4 0 0 .1949 .5 .035 |
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H 0 0 .53 .65 .035 |
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C 0 0 0 .01 .025 |
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OA12 .944 .126 .527 .012 .025 |
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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) |
| |
|
Carbonate-hydroxylapatite |
|
Fleet M E, Liu X, King P L |
|
American Mineralogist 89 (2004) 1422-1432 |
|
Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
|
of crystals synthesized at 2-4 GPa |
|
Sample: xt371 |
|
_database_code_amcsd 0003646 |
|
9.4803 9.4803 6.8853 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 .0021 .0179 |
|
Ca2 .99093 .24944 .25 .0222 |
|
P .3708 .4014 .25 .943 .0160 |
|
O1 .4847 .3313 .25 .0198 |
|
O2 .4657 .5856 .25 .0368 |
|
O3 .2608 .3459 .0723 .971 .0430 |
|
O4 0 0 .25 .36 .025 |
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C 0 0 0 .26 .025 |
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OA11 .028 .998 .662 .105 .025 |
|
OA12 .953 .123 .536 .049 .025 |
|
OA2 .911 .015 .461 .062 .025 |
|
OB3 .359 .435 .472 .034 .025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Carbonate-hydroxylapatite |
|
Fleet M E, Liu X, King P L |
|
American Mineralogist 89 (2004) 1422-1432 |
|
Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study |
|
of crystals synthesized at 2-4 GPa |
|
Sample: xt373 |
|
_database_code_amcsd 0003647 |
|
9.4817 9.4817 6.8843 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 .00210 .0175 |
|
Ca2 .99095 .24961 .25 .0214 |
|
P .3709 .4014 .25 .941 .0150 |
|
O1 .4847 .3310 .25 .0190 |
|
O2 .4658 .5855 .25 .0356 |
|
O3 .2605 .3460 .0727 .971 .0412 |
|
O4 0 0 .25 .122 .025 |
|
C 0 0 0 .22 .025 |
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OA11 .023 .000 .661 .098 .025 |
|
OA12 .946 .123 .525 .057 .025 |
|
OA2 .925 .021 .455 .065 .025 |
|
OB3 .348 .421 .477 .041 .025 |
|
|
| 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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