Johnbaumite
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
Arsenate substitution in hydroxylapatite: Structural characterization of the
Ca5(PxAs1-xO4)3OH solid solution
Sample: As66
Locality: synthetic
_database_code_amcsd 0004928
9.6311 9.6311 6.9556 90 90 120 P6_3/m
atom x y z occ Biso
Ca1 1/3 2/3 .00361 .938
Ca2 .24578 .99645 .25 .938
As .39679 .36873 .25 .6573 .938
P .39679 .36873 .25 .3427 .938
O1 .31574 .48814 .25 .938
O2 .59280 .46464 .25 .938
O3 .33820 .25264 .05984 .938
OH4 0 0 .6955 .5 .938
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Johnbaumite
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
Arsenate substitution in hydroxylapatite: Structural characterization of the
Ca5(PxAs1-xO4)3OH solid solution
Sample: As80
Locality: synthetic
_database_code_amcsd 0004929
9.6758 9.6758 6.9732 90 90 120 P6_3/m
atom x y z occ Biso
Ca1 1/3 2/3 .00330 .765
Ca2 .24625 .99780 .25 .765
As .39681 .36909 .25 .8015 .765
P .39681 .36909 .25 .1985 .765
O1 .31603 .48819 .25 .765
O2 .59366 .46606 .25 .765
O3 .33941 .25085 .05944 .765
OH4 0 0 .6971 .5 .765
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Johnbaumite
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
Arsenate substitution in hydroxylapatite: Structural characterization of the
Ca5(PxAs1-xO4)3OH solid solution
Sample: As100
Locality: synthetic
_database_code_amcsd 0004930
9.7156 9.7156 6.9857 90 90 120 P6_3/m
atom x y z occ Biso
Ca1 1/3 2/3 .00267 1.271
Ca2 .24746 .99831 .25 1.271
As .39816 .37008 .25 1.271
O1 .31975 .49033 .25 1.271
O2 .59742 .46823 .25 1.271
O3 .33588 .24509 .05623 1.271
OH4 0 0 .1919 .5 1.271
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Johnbaumite
Biagioni C, Pasero M
American Mineralogist 98 (2013) 1580-1584
The crystal structure of johnbaumite, Ca5(AsO4)3OH,
the arsenate analogue of hydroxylapatite
Locality: Harstigen mine, Varmland, Sweden
_database_code_amcsd 0020732
9.7199 9.7221 6.9651 90.077 90.051 119.944 P6_3/m
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As .3994 .3714 .25 .93 .0078 .0077 .0062 .0090 .0031 0 0
P .3994 .3714 .25 .07 .0078 .0077 .0062 .0090 .0031 0 0
Ca 1/3 2/3 .0028 .0151 .0183 .0183 .0086 .0091 0 0
Ca .2448 .9993 .25 .0127 .0117 .0140 .0115 .0056 0 0
O1 .3254 .4929 .25 .0166 .0210 .0100 .0203 .0090 0 0
O2 .5992 .4706 .25 .0213 .0097 .0140 .0379 .0043 0 0
O3 .3410 .2512 .4407 .0270 .0488 .0206 .0173 .0216 .0154 .0052
OH 0 0 .216 .5 .019 .0055 .0055 .046 .0028 0 0
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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