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Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
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Structural variations in natural F, OH, and Cl apatites |
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Locality: Durango Mexico |
|
_database_code_amcsd 0001256 |
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9.3973 9.3973 6.8782 90 90 120 P6_3/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 2/3 1/3 .0010 .00394 .00394 0.0033 .00197 0 0 |
|
Ca2 -.00712 .24227 .25 .00256 .00361 0.0034 .001495 0 0 |
|
P .36895 .39850 .25 .00208 .00231 0.0032 .00125 0 0 |
|
O1 .4849 .3273 .25 0.0037 0.0044 0.0055 .00265 0 0 |
|
O2 .4667 .5875 .25 0.0038 0.0030 0.0088 0.0014 0 0 |
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O3 .2575 .3421 .0705 0.0043 0.0077 0.0055 0.0038 -.0016 -.0026 |
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F 0 0 .25 0.0029 0.0029 0.0022 .00145 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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Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 75 (1990) 295-304 |
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Crystal structures of natural ternary apatites: Solid solution in the |
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Ca5(PO4)3X (X = F,OH,Cl) system |
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_database_code_amcsd 0001290 |
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9.4615 9.4615 6.8491 90 90 120 P6_3/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 2/3 1/3 .0018 .00417 .00417 0.0037 .002085 0 0 |
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Ca2A -.00699 .23861 .25 .890 .00271 .00132 0.0042 .0009 0 0 |
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Ca2B -.0018 .2709 .25 .110 0.0032 0.0002 0.0037 .0003 0 0 |
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P .36968 .40053 .25 .00258 .00271 0.0038 .0016 0 0 |
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O1 .4862 .3315 .25 0.0043 0.0055 0.0057 .00365 0 0 |
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O2 .4651 .5884 .25 0.0052 0.0030 0.0110 .00215 0 0 |
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O3 .2597 .3450 .0699 0.0052 0.0106 0.0068 .0053 -.0026 -.00405 |
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F 0 0 .25 .390 0.0029 0.0029 0.0220 .00145 0 0 |
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OH 0 0 .200 .140 0.0030 0.0030 0.0120 .0015 0 0 |
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ClB 0 0 .368 .082 0.0056 0.0056 0.0270 .0028 0 0 |
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ClA 0 0 .44 .083 0.0056 0.0056 0.0270 .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) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
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American Mineralogist 76 (1991) 1165-1173 |
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Rare-earth-element ordering and structural variations in natural |
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rare-earth-bearing apatites |
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sample from Pajarito, New Mexico |
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_database_code_amcsd 0001372 |
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9.4052 9.4052 6.9125 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 -.0012 .677 .986 |
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Na1 2/3 1/3 -.0012 .237 .986 |
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Ce1 2/3 1/3 -.0012 .086 .986 |
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Ca2 .98860 .23885 .25 .847 .885 |
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Ce2 .98860 .23885 .25 .153 .885 |
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P .36881 .39692 .25 .947 .63 |
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Si .36881 .39692 .25 .053 .63 |
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O1 .4821 .3233 .25 1.14 |
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O2 .4671 .5853 .25 1.35 |
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O3 .2557 .3396 .0721 1.65 |
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F 0 0 .25 2.50 |
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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) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
American Mineralogist 76 (1991) 1165-1173 |
|
Rare-earth-element ordering and structural variations in natural |
|
rare-earth-bearing apatites |
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sample from Kipawa, Quebec |
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_database_code_amcsd 0001373 |
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9.3908 9.3908 6.8988 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .0007 .936 1.023 |
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Na1 2/3 1/3 .0007 .025 1.023 |
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Ce1 2/3 1/3 .0007 .039 1.023 |
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Ca2 .99123 .24026 .25 .923 1.018 |
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Ce2 .99123 .24026 .25 .077 1.018 |
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P .36928 .39832 .25 .927 .72 |
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Si .36928 .39832 .25 .073 .72 |
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O1 .4843 .3261 .25 1.09 |
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O2 .4667 .5875 .25 1.23 |
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O3 .2572 .3417 .0704 1.47 |
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F 0 0 .25 2.7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Mariano A N |
|
American Mineralogist 76 (1991) 1165-1173 |
|
Rare-earth-element ordering and structural variations in natural |
|
rare-earth-bearing apatites |
|
sample from the Oka carbonatite |
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_database_code_amcsd 0001374 |
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9.3995 9.3995 6.8941 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .0011 .980 .893 |
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Na1 2/3 1/3 .0011 .005 .893 |
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Ce1 2/3 1/3 .0011 .015 .893 |
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Ca2 .99212 .24276 .25 .955 .842 |
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Ce2 .99212 .24276 .25 .045 .842 |
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P .36875 .39813 .25 .947 .57 |
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Si .36875 .39813 .25 .053 .57 |
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O1 .4849 .3269 .25 .96 |
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O2 .4659 .5873 .25 1.08 |
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O3 .2573 .3421 .0705 1.32 |
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F 0 0 .25 .74 2.7 |
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OH 0 0 .302 .13 1.3 |
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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) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 76 (1991) 1857-1862 |
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Ordering of divalent cations in the apatite structure: Crystal structure |
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refinements of natural Mn- and Sr-bearing apatite |
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sample Sr.63 |
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_database_code_amcsd 0001421 |
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9.3902 9.3902 6.9011 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00086 .984 .850 |
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Sr1 2/3 1/3 .00086 .016 .850 |
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Ca2 -.00854 .24046 .25 .906 .792 |
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Sr2 -.00854 .24046 .25 .094 .792 |
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P .36912 .39843 .25 .60 |
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O1 .4846 .3269 .25 .95 |
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O2 .4665 .5877 .25 1.13 |
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O3 .2574 .3416 .0711 1.26 |
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F 0 0 .25 2.00 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 76 (1991) 1857-1862 |
|
Ordering of divalent cations in the apatite structure: Crystal structure |
|
refinements of natural Mn- and Sr-bearing apatite |
|
sample Sr.29 |
|
_database_code_amcsd 0001422 |
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9.3786 9.3786 6.8922 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00092 .998 .732 |
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Sr1 2/3 1/3 .00092 .002 .732 |
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Ca2 -.00788 .24114 .25 .952 .670 |
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Sr2 -.00788 .24114 .25 .048 .670 |
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P .36899 .39827 .25 .51 |
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O1 .4852 .3272 .25 .90 |
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O2 .4670 .5879 .25 .98 |
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O3 .25737 .3418 .0706 1.16 |
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F 0 0 .25 .890 1.93 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 76 (1991) 1857-1862 |
|
Ordering of divalent cations in the apatite structure: Crystal structure |
|
refinements of natural Mn- and Sr-bearing apatite |
|
sample Mn1.21 |
|
_database_code_amcsd 0001423 |
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9.3430 9.3430 6.8227 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .0021 .795 .947 |
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Mn1 2/3 1/3 .0021 .205 .947 |
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Ca2 -.00708 .24157 .25 .935 .751 |
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Mn2 -.00708 .24157 .25 .065 .751 |
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P .36997 .39878 .25 .71 |
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O1 .4883 .3298 .25 1.19 |
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O2 .4656 .5882 .25 2.01 |
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O3 .2581 .3406 .0702 1.87 |
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F 0 0 .25 .740 2.31 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 76 (1991) 1857-1862 |
|
Ordering of divalent cations in the apatite structure: Crystal structure |
|
refinements of natural Mn- and Sr-bearing apatite |
|
sample Mn.42 |
|
_database_code_amcsd 0001424 |
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9.3596 9.3596 6.8603 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00155 .918 .828 |
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Mn1 2/3 1/3 .00155 .083 .828 |
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Ca2 -.00704 .24157 .25 .985 .751 |
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Mn2 -.00704 .24157 .25 .015 .751 |
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P .36937 .39843 .25 .573 |
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O1 .4859 .3273 .25 .97 |
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O2 .4666 .5882 .25 1.29 |
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O3 .2575 .3414 .0707 1.39 |
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F 0 0 .25 .930 1.87 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: La-FAp |
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_database_code_amcsd 0001723 |
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9.4123 9.4123 6.9080 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .0006 .888 .88 |
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Na1 2/3 1/3 .0006 .089 .88 |
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La1 2/3 1/3 .0006 .023 .88 |
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Ca2 .98989 .24018 .25 .907 .804 |
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La2 .98989 .24018 .25 .093 .804 |
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P .36898 .39808 .25 .952 .538 |
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Si .36898 .39808 .25 .048 .538 |
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O1 .4847 .3268 .25 1.01 |
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O2 .4663 .5872 .25 1.19 |
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O3 .2568 .3406 .0716 1.40 |
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F 0 0 .25 3.05 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Nd-FAp |
|
_database_code_amcsd 0001724 |
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9.3979 9.3979 6.8997 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .0000 .901 .89 |
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Na1 2/3 1/3 .0000 .061 .89 |
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Nd1 2/3 1/3 .0000 .038 .89 |
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Ca2 .99024 .24085 .25 .843 .75 |
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Na2 .99024 .24085 .25 .045 .75 |
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Nd2 .99024 .24085 .25 .111 .75 |
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P .3687 .3975 .25 .947 .52 |
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Si .3687 .3975 .25 .053 .52 |
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O1 .4830 .3253 .25 .96 |
|
O2 .4661 .5859 .25 1.23 |
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O3 .2561 .3406 .0714 1.40 |
|
F 0 0 .25 2.94 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Gd-FAp |
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_database_code_amcsd 0001725 |
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9.3853 9.3853 6.8876 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00033 .886 .80 |
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Na1 2/3 1/3 .00033 .076 .80 |
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Gd1 2/3 1/3 .00033 .038 .80 |
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Ca2 .99174 .24226 .25 .916 .643 |
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Na2 .99174 .24226 .25 .007 .643 |
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Gd2 .99174 .24226 .25 .077 .643 |
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P .36842 .39729 .25 .953 .465 |
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Si .36842 .39729 .25 .047 .465 |
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O1 .4836 .3251 .25 .93 |
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O2 .4670 .5873 .25 1.08 |
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O3 .2560 .3406 .0707 1.30 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
|
Sample: Dy-FAp |
|
_database_code_amcsd 0001726 |
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9.3784 9.3784 6.8832 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00049 .882 .79 |
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Na1 2/3 1/3 .00049 .079 .79 |
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Dy1 2/3 1/3 .00049 .039 .79 |
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Ca2 .99242 .24285 .25 .94 .614 |
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Dy2 .99242 .24285 .25 .06 .614 |
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P .36839 .39744 .25 .958 .434 |
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Si .36839 .39744 .25 .04 .434 |
|
O1 .4838 .3252 .25 .88 |
|
O2 .4669 .5874 .25 1.01 |
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O3 .2561 .3408 .0711 1.15 |
|
F 0 0 .25 2.28 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: La,Gd-FAp |
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_database_code_amcsd 0001934 |
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9.3940 9.3940 6.8967 90 90 120 P6_3/m |
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atom x y z Biso |
|
Ca1 2/3 1/3 .00040 .81 |
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Ca2 .99093 .24106 .25 .703 |
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P .36875 .39774 .25 .475 |
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O1 .4838 .3256 .25 .93 |
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O2 .4667 .5869 .25 1.11 |
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O3 .2561 .3405 .0715 1.31 |
|
F 0 0 .25 2.46 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Ce,Dy-FAp |
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_database_code_amcsd 0001935 |
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9.3874 9.3874 6.8920 90 90 120 P6_3/m |
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atom x y z Biso |
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Ca1 2/3 1/3 .0007 .81 |
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Ca2 .99103 .24124 .25 .675 |
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P .36863 .39783 .25 .480 |
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O1 .4845 .3257 .25 .94 |
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O2 .4665 .5865 .25 1.08 |
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O3 .2563 .3408 .0713 1.30 |
|
F 0 0 .25 2.32 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Pr,Er-FAp |
|
_database_code_amcsd 0001936 |
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9.3845 9.3845 6.8901 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .00067 .81 |
|
Ca2 .99179 .24187 .25 .666 |
|
P .36854 .39757 .25 .485 |
|
O1 .4839 .3258 .25 .93 |
|
O2 .4670 .5876 .25 1.09 |
|
O3 .2564 .3406 .0710 1.25 |
|
F 0 0 .25 2.26 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
|
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
|
Sample: Eu,Lu-FAp |
|
_database_code_amcsd 0001937 |
|
9.3812 9.3812 6.8867 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Ca1 2/3 1/3 .0007 .80 |
|
Ca2 .99206 .24255 .25 .630 |
|
P .36854 .39764 .25 .492 |
|
O1 .4843 .3258 .25 .95 |
|
O2 .4665 .5870 .25 1.17 |
|
O3 .2566 .3414 .0706 1.16 |
|
F 0 0 .25 2.57 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
|
American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003527 |
|
9.3429 9.3429 6.8110 90 90 120 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) |
|
Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
|
Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
|
P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
|
O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
|
O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
|
O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
|
F 0 0 .25 .0305 .0176 .0176 .056 .0088 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) |
  |
|
Fluorapatite |
|
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 |
|
Locality: synthetic |
|
_database_code_amcsd 0004514 |
|
9.441 9.441 6.835 90 90 120 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) |
|
Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
|
Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
|
Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
|
P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
|
F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
|
O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
|
O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
|
O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
|
OH4 0 0 .41 .05 .26 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Fleet M E, Liu X |
|
American Mineralogist 93 (2008) 1460-1469 |
|
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure |
|
Locality: synthetic |
|
Note: LM130 sample |
|
_database_code_amcsd 0004637 |
|
9.3648 9.3648 6.8879 90 90 120 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) |
|
Cal 2/3 1/3 .00095 .0110 .0129 .0129 .0073 .0065 0 0 |
|
Ca2 .99233 .24193 .25 .0094 .0091 .0099 .0091 .0045 0 0 |
|
P .36876 .39797 .25 .961 .0065 .0063 .0071 .0066 .0036 0 0 |
|
C .046 .065 .492 .007 .025 0 0 0 0 0 0 |
|
O1 .4842 .3257 .25 .996 .0135 .0149 .0165 .0145 .0119 0 0 |
|
O2 .4671 .5880 .25 .991 .0157 .0129 .0096 .0239 .0052 0 0 |
|
O3 .2570 .3416 .0714 .0189 .0162 .0295 .0149 .0144 -.0043 -.0078 |
|
O5 .144 .220 .472 .007 .025 |
|
O6 .005 .002 .662 .007 .025 |
|
O7 .990 .972 .343 .007 .025 |
|
O8 .450 .545 .25 .039 .025 |
|
O9 .466 .354 .25 .039 .025 |
|
F 0 0 .25 .921 .0203 .011 .011 .039 .006 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) |
  |
|
Fluorapatite |
|
Fleet M E, Liu X |
|
American Mineralogist 93 (2008) 1460-1469 |
|
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure |
|
Locality: synthetic |
|
Note: LM136 sample |
|
_database_code_amcsd 0004638 |
|
9.3679 9.3679 6.8885 90 90 120 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) |
|
Cal 2/3 1/3 .00111 .0103 .0124 .0124 .0062 .0062 0 0 |
|
Ca2 .99234 .24213 .25 .0087 .0085 .0095 .0078 .0044 0 0 |
|
P .36863 .39790 .25 .965 .0059 .0057 .0064 .0058 .0032 0 0 |
|
O1 .4846 .3264 .25 .995 .0121 .0116 .0163 .013 .0101 0 0 |
|
O2 .4673 .5879 .25 .991 .0143 .0116 .0081 .022 .0042 0 0 |
|
O3 .2571 .3417 .0712 .0176 .0162 .0295 .0124 .0142 -.0050 -.0083 |
|
C .046 .065 .492 .013 .025 |
|
O5 .144 .220 .472 .013 .025 |
|
O6 .005 .002 .662 .013 .025 |
|
O7 .990 .972 .343 .013 .025 |
|
O8 .425 .529 .25 .035 .025 |
|
O9 .434 .323 .25 .035 .025 |
|
F 0 0 .25 .842 .015 .008 .008 .029 .004 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) |
  |
|
Fluorapatite |
|
Fleet M E, Liu X |
|
American Mineralogist 93 (2008) 1460-1469 |
|
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure |
|
Locality: synthetic |
|
Note: LM142 sample |
|
_database_code_amcsd 0004639 |
|
9.3659 9.3659 6.8901 90 90 120 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) |
|
Cal 2/3 1/3 .00101 .0111 .0133 .0133 .0069 .0066 0 0 |
|
Ca2 .99237 .24201 .25 .0095 .0097 .0105 .0082 .0049 0 0 |
|
P .36873 .39794 .25 .961 .0067 .0067 .0071 .0065 .0036 0 0 |
|
O1 .4846 .3262 .25 .992 .0136 .0151 .0171 .014 .0123 0 0 |
|
O2 .4674 .5880 .25 .991 .0154 .0136 .0102 .022 .0057 0 0 |
|
O3 .2569 .3414 .0713 .0191 .0165 .0297 .0144 .0140 -.0042 -.0078 |
|
C .046 .065 .492 .011 .025 |
|
O5 .144 .220 .472 .011 .025 |
|
O6 .005 .002 .662 .011 .025 |
|
O7 .990 .972 .343 .011 .025 |
|
O8 .435 .538 .25 .039 .025 |
|
O9 .456 .334 .25 .039 .025 |
|
F 0 0 .25 .864 .016 .010 .010 .028 .005 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) |
  |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
|
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: UFAP |
|
_database_code_amcsd 0004837 |
|
9.3709 9.3709 6.8849 90 90 120 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) |
|
Ca1 2/3 1/3 .00103 .999 .0106 .0121 .0121 .0074 .0060 0 0 |
|
Ca2 .75983 .00774 1/4 .986 .0095 .0113 .0091 .0087 .0054 0 0 |
|
U2 .75983 .00774 1/4 .014 .0095 .0113 .0091 .0087 .0054 0 0 |
|
P .60199 .63110 1/4 .0069 .0074 .0065 .0070 .0037 0 0 |
|
O1 .6747 .5161 1/4 .0116 .0144 .0110 .0130 .0092 0 0 |
|
O2 .41220 .53290 1/4 .0132 .0081 .0103 .0198 .0034 0 0 |
|
O3 .65863 .74315 .0706 .0153 .0250 .0137 .0105 .0120 .0077 .0046 |
|
F 0 0 1/4 .0220 .0125 .0125 .0409 .0063 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) |
  |
|
Fluorapatite |
|
Luo Y, Hughes J M, Rakovan J, Pan Y |
|
American Mineralogist 94 (2009) 345-351 |
|
Site preference of U and Th in Cl, F, and Sr apatites |
|
Locality: synthetic |
|
Note: ThFAP |
|
_database_code_amcsd 0004839 |
|
9.375 9.375 6.883 90 90 120 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) |
|
Ca1 2/3 1/3 .00107 .999 .0107 .0123 .0123 .0075 .0061 0 0 |
|
Ca2 .75984 .00764 1/4 .987 .0097 .0115 .0092 .0089 .0054 0 0 |
|
Th2 .75984 .00764 1/4 .013 .0097 .0115 .0092 .0089 .0054 0 0 |
|
P .60179 .63095 1/4 .0070 .0074 .0066 .0075 .0038 0 0 |
|
O1 .6743 .51573 1/4 .0115 .0144 .0109 .0126 .0090 0 0 |
|
O2 .41194 .53296 1/4 .0132 .0075 .0098 .0207 .0032 0 0 |
|
O3 .65868 .74320 .07044 .0154 .0246 .0138 .0111 .0121 .0071 .0042 |
|
F 0 0 1/4 .0220 .0119 .0119 .0422 0 0 .0060 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Baikie T, Schreyer M K, Wong C L, Pramana S S, Klooster W T, Ferraris C, |
|
McIntyre G J, White T J |
|
American Mineralogist 97 (2012) 1574-1581 |
|
A multi-domain gem-grade Brazilian apatite |
|
Note: single-crystal neutron at T = 130 K |
|
Locality: Ipira, Bahia Province, Brazil |
|
_database_code_amcsd 0019531 |
|
9.3687 9.3687 6.8739 90 90 120 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) |
|
CaAF 1/3 2/3 -.0013 .987 .0084 .0075 .0075 .0102 .0037 0 0 |
|
NaAF 1/3 2/3 -.0013 .013 .0084 .0075 .0075 .0102 .0037 0 0 |
|
CaAT .2438 -.0065 1/4 .0018 .0041 .0010 .0020 .0001 0 0 |
|
PB .3986 .3690 1/4 .948 .0074 .0070 .0099 .0054 .0056 0 0 |
|
SiB .3986 .3690 1/4 .030 .0074 .0070 .0099 .0054 .0056 0 0 |
|
SB .3986 .3690 1/4 .022 .0074 .0070 .0099 .0054 .0056 0 0 |
|
O1 .3267 .4838 1/4 .0084 .0122 .0087 .0044 .0068 0 0 |
|
O2 .5880 .4662 1/4 .0107 .0055 .0099 .0165 .0032 0 0 |
|
O3 .3417 .2565 .0702 .0135 .0187 .0106 .0112 .0099 -.0059 -.0025 |
|
F4 0 0 .25 .76 .0051 |
|
Cl4 0 0 .25 .06 .0051 |
|
O4 0 0 .316 .09 .0051 |
|
H4 0 0 .472 .09 .0061 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Baikie T, Schreyer M K, Wong C L, Pramana S S, Klooster W T, Ferraris C, |
|
McIntyre G J, White T J |
|
American Mineralogist 97 (2012) 1574-1581 |
|
A multi-domain gem-grade Brazilian apatite |
|
Note: single-crystal X-ray at T = 100 K |
|
Locality: Ipira, Bahia Province, Brazil |
|
_database_code_amcsd 0019532 |
|
9.3687 9.3687 6.8739 90 90 120 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) |
|
CaAF 1/3 2/3 .00111 .987 .00776 .0091 .0091 .0051 .00454 0 0 |
|
NaAF 1/3 2/3 .00111 .013 .00776 .0091 .0091 .0051 .00454 0 0 |
|
CaAT .24293 -.00716 1/4 .00724 .0080 .0066 .0070 .00355 0 0 |
|
PB .39852 .36890 1/4 .948 .0057 .0066 .0058 .0056 .00381 0 0 |
|
SiB .39852 .36890 1/4 .030 .0057 .0066 .0058 .0056 .00381 0 0 |
|
SB .39852 .36890 1/4 .022 .0057 .0066 .0058 .0056 .00381 0 0 |
|
O1 .32624 .48413 1/4 .0081 .0099 .0072 .0092 .0057 0 0 |
|
O2 .58796 .46605 1/4 .0109 .0069 .0084 .0171 .0037 0 0 |
|
O3 .34215 .25650 .07012 .0129 .0216 .0110 .0094 .0106 -.0064 -.0035 |
|
F4 0 0 .25 .76 .0101 |
|
Cl4 0 0 .25 .06 .0101 |
|
OH4 0 0 .305 .09 .0101 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L, |
|
McCubbin F M, Woerner W R |
|
American Mineralogist 99 (2014) 369-376 |
|
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal |
|
structure refinements of synthetic F-Cl apatite. |
|
Note: Sample HNF5CL5 |
|
Locality: Synthetic |
|
_database_code_amcsd 0020113 |
|
9.5104 9.5104 6.8311 90 90 120 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) |
|
Ca1 2/3 1/3 -.00218 .01209 .01440 .01440 .00749 .00720 0 0 |
|
Ca2 .00354 .25496 .25 .01637 .01227 .02261 .01011 .00562 0 0 |
|
P .96903 .59805 .25 .00844 .00718 .01007 .00797 .00424 0 0 |
|
O1 .15329 .66594 .25 .01403 .0077 .0201 .0141 .0067 0 0 |
|
O2 .87623 .41095 .25 .0179 .0136 .0107 .0262 .0037 0 0 |
|
O3 .9080 .6442 .0630 .70 .0164 .0108 .0268 .0112 .0092 -.0016 .0056 |
|
O3' .9300 .6745 .0851 .30 .0164 .0108 .0268 .0112 .0092 -.0016 .0056 |
|
Cl 0 0 0 .078 .021 |
|
ClB 0 0 .0859 .127 .0116 |
|
F 0 0 .25 .399 .0132 |
|
FB 0 0 .1670 .187 .0059 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L, |
|
McCubbin F M, Woerner W R |
|
American Mineralogist 99 (2014) 369-376 |
|
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal |
|
structure refinements of synthetic F-Cl apatite. |
|
Note: Sample HNF5CL5-8 |
|
Locality: Synthetic |
|
_database_code_amcsd 0020114 |
|
9.5101 9.5101 6.83000 90 90 120 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) |
|
Ca1 2/3 1/3 -.00218 .01339 .01578 .01578 .00861 .00789 0 0 |
|
Ca2 .00352 .25495 .25 .01767 .01366 .02398 .01123 .00630 0 0 |
|
P .96900 .59804 .25 .00975 .00853 .01141 .00918 .00489 0 0 |
|
O1 .15326 .66591 .25 .01538 .0094 .0215 .0149 .0075 0 0 |
|
O2 .87623 .41101 .25 .0192 .0151 .0120 .0272 .0043 0 0 |
|
O3 .9070 .6425 .0629 .66 .0169 .0112 .0248 .0135 .0082 -.0013 .0053 |
|
O3' .9293 .6745 .0823 .34 .0169 .0112 .0248 .0135 .0082 -.0013 .0053 |
|
Cl 0 0 0 .081 .025 |
|
ClB 0 0 .0865 .131 .0139 |
|
F 0 0 .25 .406 .0150 |
|
FB 0 0 .1678 .180 .0060 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L, |
|
McCubbin F M, Woerner W R |
|
American Mineralogist 99 (2014) 369-376 |
|
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal |
|
structure refinements of synthetic F-Cl apatite. |
|
Note: Sample HNF5CL5-9 |
|
Locality: Synthetic |
|
_database_code_amcsd 0020115 |
|
9.5100 9.5100 6.8289 90 90 120 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) |
|
Ca1 2/3 1/3 -.00218 .01214 .01447 .01447 .00747 .00724 0 0 |
|
Ca3 .00350 .25496 .25 .01638 .01232 .02260 .01007 .00562 0 0 |
|
P .96902 .59804 .25 .00846 .00711 .01009 .00806 .00420 0 0 |
|
O1 .15326 .66587 .25 .01408 .0078 .0203 .0138 .0068 0 0 |
|
O2 .87618 .41098 .25 .0180 .0139 .0105 .0264 .0037 0 0 |
|
O3 .9080 .6440 .0630 .70 .0162 .0108 .0262 .0113 .0091 -.0016 .0056 |
|
O3' .9302 .6752 .0849 .30 .0162 .0108 .0262 .0113 .0091 -.0016 .0056 |
|
Cl 0 0 0 .078 .020 |
|
ClB 0 0 .0856 .129 .0121 |
|
F 0 0 .25 .402 .0134 |
|
FB 0 0 .1668 .181 .0049 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L, |
|
McCubbin F M, Woerner W R |
|
American Mineralogist 99 (2014) 369-376 |
|
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal |
|
structure refinements of synthetic F-Cl apatite. |
|
Note: HNF5CL5-10 |
|
Locality: Synthetic |
|
_database_code_amcsd 0020116 |
|
9.5084 9.5084 6.82930 90 90 120 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) |
|
Ca1 2/3 1/3 .99782 .01217 .01451 .01451 .00750 .00725 0 0 |
|
Ca2 .00349 .25495 .25 .01644 .01235 .02266 .01014 .00563 0 0 |
|
P .96902 .59804 .25 .00849 .00719 .01007 .00810 .00424 0 0 |
|
O1 .15333 .66592 .25 .01409 .0077 .0201 .0141 .0067 0 0 |
|
O2 .87619 .41100 .25 .0180 .0140 .0105 .0262 .0037 0 0 |
|
O3 .9079 .6441 .0629 .70 .0163 .0108 .0268 .0111 .0093 -.0017 .0054 |
|
O3' .9300 .6746 .0852 .30 .0163 .0108 .0268 .0111 .0093 -.0017 .0054 |
|
Cl 0 0 0 .076 .019 |
|
ClB 0 0 .0854 .128 .0123 |
|
F 0 0 .25 .397 .0127 |
|
FB 0 0 .1671 .183 .0054 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Rakovan J F, Hughes J M |
|
The Canadian Mineralogist 38 (2000) 839-845 |
|
Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce) |
|
_database_code_amcsd 0005688 |
|
9.416 9.416 6.924 90 90 120 P6_3/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca(1) 2/3 1/3 .0004 .9741 .842 .00341 .00341 .0037 .001705 0 0 |
|
Sr(1) 2/3 1/3 .0004 .0259 .842 .00341 .00341 .0037 .001705 0 0 |
|
Ca(2) .24967 .01007 1/4 .8229 .912 .00310 .00331 .00448 .001125 0 0 |
|
Sr(2) .24967 .01007 1/4 .1771 .912 .00310 .00331 .00448 .001125 0 0 |
|
P .02937 .63066 1/4 .66 .00208 .00230 .0041 .000905 0 0 |
|
O(1) .4849 .3278 1/4 1.16 .0044 .0053 .0068 .00355 0 0 |
|
O(2) .4129 .8794 1/4 1.30 .0027 .0037 .0111 .0014 0 0 |
|
O(3) .0836 .7422 .0721 1.50 .0053 .0043 .0061 .0004 -.00095 .0019 |
|
F 0 0 1/4 2.68 .0063 .0063 .025 .00315 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) |
  |
|
Fluorapatite |
|
Comodi P, Liu Y, Zanazzi P F, Montagnoli M |
|
Physics and Chemistry of Minerals 28 (2001) 219-224 |
|
Structural and vibrational behaviour of fluorapatite with pressure. |
|
Part 1: in situ single-crystal X-ray diffraction investigation |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0008534 |
|
9.375 9.375 6.887 90 90 120 P6_3/m |
|
atom x y z Uiso |
|
Ca1 2/3 1/3 .0011 .0130 |
|
Ca2 -.00721 .24154 .25 .0126 |
|
P .36853 .39785 .25 .0096 |
|
O1 .4844 .3267 .25 .0137 |
|
O2 .4666 .5873 .25 .0163 |
|
O3 .2572 .3416 .0705 .0188 |
|
F 0 0 .25 .0266 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Comodi P, Liu Y, Zanazzi P F, Montagnoli M |
|
Physics and Chemistry of Minerals 28 (2001) 219-224 |
|
Structural and vibrational behaviour of fluorapatite with pressure. |
|
Part 1: in situ single-crystal X-ray diffraction investigation |
|
Sample: P = 3.04 GPa |
|
_database_code_amcsd 0008535 |
|
9.268 9.268 6.834 90 90 120 P6_3/m |
|
atom x y z Uiso |
|
Ca1 2/3 1/3 .0008 .0106 |
|
Ca2 -.0096 .2396 .25 .0095 |
|
P .3681 .3975 .25 .0078 |
|
O1 .4838 .3246 .25 .0011 |
|
O2 .4675 .5880 .25 .0014 |
|
O3 .2562 .3421 .0688 .0171 |
|
F 0 0 .25 .031 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Comodi P, Liu Y, Zanazzi P F, Montagnoli M |
|
Physics and Chemistry of Minerals 28 (2001) 219-224 |
|
Structural and vibrational behaviour of fluorapatite with pressure. |
|
Part 1: in situ single-crystal X-ray diffraction investigation |
|
Sample: P = 4.72 GPa |
|
_database_code_amcsd 0008536 |
|
9.224 9.224 6.805 90 90 120 P6_3/m |
|
atom x y z Uiso |
|
Ca1 2/3 1/3 .0009 .0105 |
|
Ca2 -.011 .2383 .25 .0100 |
|
P .3683 .3976 .25 .0072 |
|
O1 .4836 .3233 .25 .010 |
|
O2 .4695 .5891 .25 .014 |
|
O3 .2565 .3420 .0694 .0176 |
|
F 0 0 .25 .035 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Naray-Szabo S |
|
Zeitschrift fur Kristallographie 75 (1930) 387-398 |
|
The structure of apatite (Ca F) Ca4 (P O4)3 |
|
_cod_database_code 1011044 |
|
_database_code_amcsd 0017946 |
|
9.37 9.37 6.88 90 90 120 P6_3/m |
|
atom x y z |
|
F1 0 0 .25 |
|
Ca1 1/3 2/3 0 |
|
Ca2 .25 0 .25 |
|
P1 .416 .361 .25 |
|
O1 1/3 .5 .25 |
|
O2 .6 .467 .25 |
|
O3 1/3 .25 .062 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Fluorapatite |
|
Hendricks S, Jefferson M, Mosley V |
|
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1010996 |
|
_database_code_amcsd 0017911 |
|
9.37 9.37 6.88 90 90 120 P6_3/m |
|
atom x y z |
|
Ca1 1/3 2/3 0 |
|
Ca2 .25 0 .25 |
|
P1 .417 .361 .25 |
|
O1 1/3 .5 .25 |
|
O2 .6 .467 .25 |
|
O3 1/3 .25 .063 |
|
F1 0 0 .25 |
|
|
| 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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Fluorapatite |
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Bale W |
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American Journal of Roentgenology 43 (1940) 735-747 |
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A comparative Roentgen-ray diffraction study of several natural |
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apatites and the apatite-like constituent of bone and tooth substance |
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_cod_database_code 1010647 |
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_database_code_amcsd 0017528 |
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9.37 9.37 6.88 90 90 120 P6_3/m |
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atom x y z |
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F1 0 0 .25 |
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Ca1 1/3 2/3 0 |
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Ca2 .237 -.015 .25 |
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P1 .416 .361 .25 |
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O1 1/3 .5 .25 |
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O2 .6 .467 .25 |
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O3 1/3 .25 .062 |
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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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Fluorapatite |
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Hughes J M, Fransolet A M, Schreyer W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1993 (1993) 504-510 |
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The atomic arrangement of iron-bearing apatite |
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Locality: Northampton Block, Western Australia |
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_database_code_amcsd 0020482 |
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9.3916 9.3962 6.8458 90 90 119.9508 P2_1/m |
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atom x y z occ Biso |
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Ca1 2/3 1/3 .00130 .998 .875 |
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Ca2 .24703 .00683 .25 .8427 .71 |
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Ca3 .2715 -.0005 .25 .127 .81 |
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Fe1 .2715 -.0005 .25 .033 .81 |
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Ca4 .75977 .75267 .25 .84 .72 |
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Ca5 .7286 .7312 .25 .127 .78 |
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Fe2 .7286 .7312 .25 .033 .78 |
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Ca6 -.00695 .24006 .25 .84 .71 |
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Ca7 .0014 .2522 .25 .127 .73 |
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Fe3 .0014 .2522 .25 .033 .73 |
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P1 .02969 -.36932 .25 .62 |
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P2 -.39905 -.02963 .25 .63 |
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P3 .36933 .39900 .25 .62 |
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O1 .4856 .3286 .25 1.00 |
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O2 -.1569 -.4853 .25 .98 |
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O3 -.3285 .1571 .25 .95 |
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O4 .4665 .5882 .25 1.19 |
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O5 .1214 -.4666 .25 1.13 |
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O6 .4119 -.1216 .25 1.16 |
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O7 .2582 .3428 .0703 1.37 |
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O8 .0846 -.2584 .0700 1.39 |
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O9 -.3426 -.0846 .0703 1.37 |
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F1 -.0004 -.0002 .25 .75 1.50 |
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Cl1 -.0004 -.0002 .25 .15 1.50 |
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OH10 .001 .001 .328 .05 1.3 |
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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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