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Fluorapatite |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
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American Mineralogist 93 (2008) 210-216 |
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Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
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XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004514 |
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9.441 9.441 6.835 90 90 120 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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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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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
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Apatite-(CaF) |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
| |
American Mineralogist 93 (2008) 210-216 |
|
Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
|
XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004515 |
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9.441 9.441 6.835 90 90 120 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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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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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
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