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Fluorapatite |
 |
Hughes J M, Cameron M, Crowley K D |
 |
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
|
Locality: Durango Mexico |
|
_database_code_amcsd 0001256 |
|
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 |
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View JMOL 3-D Structure
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| |
|
Hydroxylapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
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Locality: Holly Springs, Georgia, USA |
|
_database_code_amcsd 0001257 |
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9.4166 9.4166 6.8745 90 90 120 P6_3/m |
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atom x y z occ Biso 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 .00144 .00408 .00408 0.0033 .00204 0 0 |
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Ca2 -.00657 .24706 .25 .00308 .00353 .00417 .00156 0 0 |
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P .36860 .39866 .25 .00223 .00250 0.0034 .00127 0 0 |
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O1 .4850 .3289 .25 0.0036 0.0044 0.0059 .0027 0 0 |
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O2 .4649 .5871 .25 0.0035 0.0031 0.0105 .0016 0 0 |
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O3 .2580 .3435 .0703 0.0050 0.0096 0.0070 .00505 -.0025 -.0041 |
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O(H) 0 0 .1979 .5 0.0030 0.0030 0.012 .0015 0 0 |
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H 0 0 .04 .5 3.3 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Chlorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
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Locality: Kragero, Norway |
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_database_code_amcsd 0001258 |
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9.598 9.598 6.776 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 .0027 .00462 .00462 0.0023 .00231 0 0 |
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Ca2 .00112 .25763 .25 .00449 .00526 0.0037 .00228 0 0 |
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P .37359 .40581 .25 .00310 .00330 0.0034 .00184 0 0 |
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O1 .4902 .3403 .25 0.0059 0.0075 0.0054 0.0051 0 0 |
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O2 .4654 .5908 .25 0.0049 0.0036 0.0109 0.0020 0 0 |
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O3 .2655 .3522 .0684 0.0062 0.0113 0.0076 .00595 -.0035 -.00545 |
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Cl 0 0 .4323 .44 0.0056 0.0056 0.027 0.0028 0 0 |
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F 0 0 .25 .12 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
|
Locality: Durango Mexico |
|
_database_code_amcsd 0001259 |
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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 |
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Ca2 -.00712 .24227 .25 .00256 .00361 0.0034 .001495 0 0 |
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P .36895 .39850 .25 .00208 .00231 0.0032 .00125 0 0 |
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O1 .4849 .3273 .25 0.0037 0.0044 0.0055 .00265 0 0 |
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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 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaOH) |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
|
Locality: Holly Springs, Georgia, USA |
|
_database_code_amcsd 0001260 |
|
9.4166 9.4166 6.8745 90 90 120 P6_3/m |
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atom x y z occ Biso 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 .00144 .00408 .00408 0.0033 .00204 0 0 |
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Ca2 -.00657 .24706 .25 .00308 .00353 .00417 .00156 0 0 |
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P .36860 .39866 .25 .00223 .00250 0.0034 .00127 0 0 |
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O1 .4850 .3289 .25 0.0036 0.0044 0.0059 .0027 0 0 |
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O2 .4649 .5871 .25 0.0035 0.0031 0.0105 .0016 0 0 |
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O3 .2580 .3435 .0703 0.0050 0.0096 0.0070 .00505 -.0025 -.0041 |
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O(H) 0 0 .1979 .5 0.0030 0.0030 0.012 .0015 0 0 |
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H 0 0 .04 .5 3.3 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 74 (1989) 870-876 |
|
Structural variations in natural F, OH, and Cl apatites |
|
Locality: Kragero, Norway |
|
_database_code_amcsd 0001261 |
|
9.598 9.598 6.776 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 .0027 .00462 .00462 0.0023 .00231 0 0 |
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Ca2 .00112 .25763 .25 .00449 .00526 0.0037 .00228 0 0 |
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P .37359 .40581 .25 .00310 .00330 0.0034 .00184 0 0 |
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O1 .4902 .3403 .25 0.0059 0.0075 0.0054 0.0051 0 0 |
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O2 .4654 .5908 .25 0.0049 0.0036 0.0109 0.0020 0 0 |
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O3 .2655 .3522 .0684 0.0062 0.0113 0.0076 .00595 -.0035 -.00545 |
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Cl 0 0 .4323 .44 0.0056 0.0056 0.027 0.0028 0 0 |
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F 0 0 .25 .12 |
|
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 75 (1990) 295-304 |
|
Crystal structures of natural ternary apatites: Solid solution in the |
|
Ca5(PO4)3X (X = F,OH,Cl) system |
|
_database_code_amcsd 0001290 |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 75 (1990) 295-304 |
|
Crystal structures of natural ternary apatites: Solid solution in the |
|
Ca5(PO4)3X (X = F,OH,Cl) system |
|
_database_code_amcsd 0001291 |
|
9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b |
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atom x y z occ Biso |
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Ca11 .3313 .58243 .0020 1.14 |
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Ca12 .3356 .58434 .4980 1.51 |
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Ca21 .2511 .24809 .2498 1.48 |
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Ca22 -.0038 .62258 .7492 1.48 |
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Ca23 .2550 .37554 .7503 1.49 |
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P1 .4018 .43534 .2505 1.01 |
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P2 .6292 .26557 .2508 1.02 |
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P3 .0312 .45093 .7502 1.02 |
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O11 .3346 .4939 .2510 1.41 |
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O12 .4880 .3268 .7511 1.41 |
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O13 .1534 .5829 .2492 1.41 |
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O21 .5894 .4825 .2465 1.63 |
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O22 .5346 .3121 .2490 1.62 |
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O23 .1242 .5447 .7476 1.60 |
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O31 .3441 .3800 .0709 2.00 |
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O32 .7399 .2926 .0710 1.89 |
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O33 .0846 .4217 .5710 1.93 |
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O34 .3508 .3817 .4331 2.00 |
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O35 .7365 .2932 .4329 2.10 |
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O36 .0865 .4258 .9338 2.05 |
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ClB .000 .2507 .130 .235 1.39 |
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ClA .0000 .2494 .4345 .235 1.22 |
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F .0000 .2502 .237 .290 1.40 |
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OH .0006 .2498 .340 .240 0.14 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 75 (1990) 295-304 |
|
Crystal structures of natural ternary apatites: Solid solution in the |
|
Ca5(PO4)3X (X = F,OH,Cl) system |
|
_database_code_amcsd 0001292 |
|
9.4615 9.4615 6.8491 90 90 120 P6_3/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaCl) |
|
Hughes J M, Cameron M, Crowley K D |
|
American Mineralogist 75 (1990) 295-304 |
|
Crystal structures of natural ternary apatites: Solid solution in the |
|
Ca5(PO4)3X (X = F,OH,Cl) system |
|
_database_code_amcsd 0001293 |
|
9.4877 18.9628 6.8224 90 90 119.9739 P2_1/b |
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atom x y z occ Biso |
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Ca11 .3313 .58243 .0020 1.14 |
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Ca12 .3356 .58434 .4980 1.51 |
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Ca21 .2511 .24809 .2498 1.48 |
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Ca22 -.0038 .62258 .7492 1.48 |
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Ca23 .2550 .37554 .7503 1.49 |
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P1 .4018 .43534 .2505 1.01 |
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P2 .6292 .26557 .2508 1.02 |
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P3 .0312 .45093 .7502 1.02 |
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O11 .3346 .4939 .2510 1.41 |
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O12 .4880 .3268 .7511 1.41 |
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O13 .1534 .5829 .2492 1.41 |
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O21 .5894 .4825 .2465 1.63 |
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O22 .5346 .3121 .2490 1.62 |
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O23 .1242 .5447 .7476 1.60 |
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O31 .3441 .3800 .0709 2.00 |
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O32 .7399 .2926 .0710 1.89 |
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O33 .0846 .4217 .5710 1.93 |
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O34 .3508 .3817 .4331 2.00 |
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O35 .7365 .2932 .4329 2.10 |
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O36 .0865 .4258 .9338 2.05 |
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ClB .000 .2507 .130 .235 1.39 |
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ClA .0000 .2494 .4345 .235 1.22 |
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F .0000 .2502 .237 .290 1.40 |
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OH .0006 .2498 .340 .240 0.14 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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.63 |
|
_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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
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_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 |
|
F 0 0 .25 .890 1.93 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
9.3430 9.3430 6.8227 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0021 .795 .947 |
|
Mn1 2/3 1/3 .0021 .205 .947 |
|
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 |
|
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
|
| |
|
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 |
|
9.3596 9.3596 6.8603 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00155 .918 .828 |
|
Mn1 2/3 1/3 .00155 .083 .828 |
|
Ca2 -.00704 .24157 .25 .985 .751 |
|
Mn2 -.00704 .24157 .25 .015 .751 |
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P .36937 .39843 .25 .573 |
|
O1 .4859 .3273 .25 .97 |
|
O2 .4666 .5882 .25 1.29 |
|
O3 .2575 .3414 .0707 1.39 |
|
F 0 0 .25 .930 1.87 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
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.63 |
|
_database_code_amcsd 0001425 |
|
9.3902 9.3902 6.9011 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00086 .984 .850 |
|
Sr1 2/3 1/3 .00086 .016 .850 |
|
Ca2 -.00854 .24046 .25 .906 .792 |
|
Sr2 -.00854 .24046 .25 .094 .792 |
|
P .36912 .39843 .25 .60 |
|
O1 .4846 .3269 .25 .95 |
|
O2 .4665 .5877 .25 1.13 |
|
O3 .2574 .3416 .0711 1.26 |
|
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
|
| |
|
Apatite-(CaF) |
|
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 0001426 |
|
9.3786 9.3786 6.8922 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00092 .998 .732 |
|
Sr1 2/3 1/3 .00092 .002 .732 |
|
Ca2 -.00788 .24114 .25 .952 .670 |
|
Sr2 -.00788 .24114 .25 .048 .670 |
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P .36899 .39827 .25 .51 |
|
O1 .4852 .3272 .25 .90 |
|
O2 .4670 .5879 .25 .98 |
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O3 .25737 .3418 .0706 1.16 |
|
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
|
| |
|
Apatite-(CaF) |
|
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 0001427 |
|
9.3430 9.3430 6.8227 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0021 .795 .947 |
|
Mn1 2/3 1/3 .0021 .205 .947 |
|
Ca2 -.00708 .24157 .25 .935 .751 |
|
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 |
|
O2 .4656 .5882 .25 2.01 |
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O3 .2581 .3406 .0702 1.87 |
|
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
|
| |
|
Apatite-(CaF) |
|
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 0001428 |
|
9.3596 9.3596 6.8603 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00155 .918 .828 |
|
Mn1 2/3 1/3 .00155 .083 .828 |
|
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 |
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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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