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Apatite-(CaF) |
 |
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 |
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_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) |
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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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View JMOL 3-D Structure (permalink) |
| |
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Apatite-(CaOH) |
|
Hughes J M, Cameron M, Crowley K D |
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American Mineralogist 74 (1989) 870-876 |
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Structural variations in natural F, OH, and Cl apatites |
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Locality: Holly Springs, Georgia, USA |
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_database_code_amcsd 0001260 |
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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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| |
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Apatite-(CaCl) |
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Hughes J M, Cameron M, Crowley K D |
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American Mineralogist 74 (1989) 870-876 |
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Structural variations in natural F, OH, and Cl apatites |
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Locality: Kragero, Norway |
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_database_code_amcsd 0001261 |
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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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| |
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Apatite-(CaF) |
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Hughes J M, Cameron M, Crowley K D |
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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 0001292 |
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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)
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View JMOL 3-D Structure (permalink) |
| |
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Apatite-(CaCl) |
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Hughes J M, Cameron M, Crowley K D |
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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 0001293 |
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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 (permalink) |
| |
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Apatite-(CaOH) |
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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 B from the Oka carbonatite |
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_database_code_amcsd 0001376 |
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9.4202 9.4202 6.9157 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 .0004 .939 1.101 |
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Na1 2/3 1/3 .0004 .010 1.101 |
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Ce1 2/3 1/3 .0004 .051 1.101 |
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Ca2 .99088 .24301 .25 .893 1.000 |
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Ce2 .99088 .24301 .25 .107 1.000 |
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P .36896 .39824 .25 .865 .73 |
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Si .36896 .39824 .25 .135 .73 |
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O1 .4842 .3261 .25 1.08 |
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O2 .4659 .5874 .25 1.35 |
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O3 .2567 .3421 .0708 1.72 |
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F 0 0 .25 .335 1.9 |
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OH 0 0 .304 .332 2.3 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Apatite-(CaF) |
|
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 0001377 |
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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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0001378 |
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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 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 the Oka carbonatite |
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_database_code_amcsd 0001379 |
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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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
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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 0001425 |
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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 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Hughes J M, Cameron M, Crowley K D |
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American Mineralogist 76 (1991) 1857-1862 |
|
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.29 |
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_database_code_amcsd 0001426 |
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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 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
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 |
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refinements of natural Mn- and Sr-bearing apatite |
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sample Mn1.21 |
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_database_code_amcsd 0001427 |
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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 |
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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 (permalink) |
| |
|
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 |
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refinements of natural Mn- and Sr-bearing apatite |
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sample Mn.42 |
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_database_code_amcsd 0001428 |
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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 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Apatite-(CaF) |
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Fleet M E, Pan Y |
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American Mineralogist 80 (1995) 329-335 |
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Site preference of rare earth elements in fluorapatite |
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Sample: La-FAp |
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_database_code_amcsd 0001727 |
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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 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
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Site preference of rare earth elements in fluorapatite |
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Sample: Nd-FAp |
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_database_code_amcsd 0001728 |
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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 |
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O2 .4661 .5859 .25 1.23 |
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O3 .2561 .3406 .0714 1.40 |
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F 0 0 .25 2.94 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
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American Mineralogist 80 (1995) 329-335 |
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Site preference of rare earth elements in fluorapatite |
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Sample: Gd-FAp |
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_database_code_amcsd 0001729 |
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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 |
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F 0 0 .25 2.46 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 80 (1995) 329-335 |
|
Site preference of rare earth elements in fluorapatite |
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Sample: Dy-FAp |
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_database_code_amcsd 0001730 |
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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 |
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O1 .4838 .3252 .25 .88 |
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O2 .4669 .5874 .25 1.01 |
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O3 .2561 .3408 .0711 1.15 |
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F 0 0 .25 2.28 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
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Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
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substituted crystals |
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Sample: La,Gd-FAp |
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_database_code_amcsd 0001938 |
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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 |
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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 |
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F 0 0 .25 2.46 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
Fleet M E, Pan Y |
|
American Mineralogist 82 (1997) 870-877 |
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Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- |
|
substituted crystals |
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Sample: Ce,Dy-FAp |
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_database_code_amcsd 0001939 |
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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 |
|
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) |
| |
|
Apatite-(CaF) |
|
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 0001940 |
|
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) |
| |
|
Apatite-(CaF) |
|
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 0001941 |
|
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) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: H6L, synthetic |
|
_database_code_amcsd 0002297 |
|
9.4081 9.4081 6.8887 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0007 |
|
Ca2 .2426 .9904 .25 |
|
P .3948 .3657 .25 |
|
O1 .3270 .4849 .25 |
|
O2 .5791 .4618 .25 |
|
O3 .3417 .2578 .0711 |
|
Oh 0 0 .1837 .5 |
|
H 0 0 .0608 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: H6G, synthetic |
|
_database_code_amcsd 0002298 |
|
9.4394 9.4394 6.8861 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0021 |
|
Ca2 .2478 .9917 .25 |
|
P .3995 .3691 .25 |
|
O1 .3319 .4862 .25 |
|
O2 .5806 .4614 .25 |
|
O3 .3437 .2593 .0697 |
|
OH 0 0 .1906 .5 |
|
H 0 0 .0608 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: H6M, synthetic |
|
_database_code_amcsd 0002299 |
|
9.4172 9.4172 6.8799 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0017 |
|
Ca2 .2467 .9933 .25 |
|
P .3979 .3678 .25 |
|
O1 .3275 .4844 .25 |
|
O2 .5860 .4649 .25 |
|
O3 .3424 .2577 .0685 |
|
OH 0 0 .1999 .5 |
|
H 0 0 .0608 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: Prep.63b, synthetic |
|
_database_code_amcsd 0002300 |
|
9.4232 9.4232 6.8833 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0014 |
|
Ca2 .2469 .9931 .25 |
|
P .3984 .3679 .25 |
|
O1 .3273 .4848 .25 |
|
O2 .5852 .4635 .25 |
|
O3 .3415 .2565 .0690 |
|
OH 0 0 .1917 .5 |
|
H 0 0 .0608 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RC1 - enamel |
|
_database_code_amcsd 0002301 |
|
9.4623 9.4623 6.8863 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0014 .97 |
|
Na1 2/3 1/3 .0014 .02 |
|
Mg1 2/3 1/3 .0014 .01 |
|
Ca2 .2450 .9895 .25 .93 |
|
Na2 .2450 .9895 .25 .02 |
|
Mg2 .2450 .9895 .25 .01 |
|
P .3987 .3697 .25 .92 |
|
O1 .3317 .4864 .25 .91 |
|
O2 .5752 .4555 .25 .95 |
|
O3 .3427 .2587 .0734 .89 |
|
Oh 0 0 .1880 .48 |
|
H 0 0 .0608 .58 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RC7 - enamel |
|
_database_code_amcsd 0002302 |
|
9.4512 9.4512 6.8803 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0042 .97 |
|
Na1 2/3 1/3 .0042 .02 |
|
Mg1 2/3 1/3 .0042 .01 |
|
Ca2 .2457 .9896 .25 .93 |
|
Na2 .2457 .9896 .25 .02 |
|
Mg2 .2457 .9896 .25 .01 |
|
P .3982 .3686 .25 .93 |
|
O1 .3283 .4859 .25 .89 |
|
O2 .5754 .4551 .25 |
|
O3 .3359 .2526 .0699 .88 |
|
Oh 0 0 .1881 .52 |
|
H 0 0 .0608 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RC8 - enamel |
|
_database_code_amcsd 0002303 |
|
9.4343 9.4343 6.8681 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0024 .97 |
|
Na1 2/3 1/3 .0024 .02 |
|
Mg1 2/3 1/3 .0024 .01 |
|
Ca2 .2442 .9880 .25 .92 |
|
Na2 .2442 .9880 .25 .02 |
|
Mg2 .2442 .9880 .25 .01 |
|
P .3975 .3668 .25 .87 |
|
O1 .3254 .4863 .25 .91 |
|
O2 .5684 .4542 .25 |
|
O3 .3445 .2604 .0697 .94 |
|
Oh 0 0 .1747 .57 |
|
H 0 0 .0608 .23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RE1 - enamel |
|
_database_code_amcsd 0002304 |
|
9.4564 9.4564 6.8821 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0041 .97 |
|
Na1 2/3 1/3 .0041 .02 |
|
Mg1 2/3 1/3 .0041 .01 |
|
Ca2 .2437 .9888 .25 .93 |
|
Na2 .2437 .9888 .25 .02 |
|
P .3969 .3669 .25 .93 |
|
O1 .3317 .4902 .25 .87 |
|
O2 .5739 .4562 .25 .98 |
|
O3 .3398 .2567 .0693 .87 |
|
Oh 0 0 .1857 .52 |
|
H 0 0 .0608 .88 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RE2 - enamel |
|
_database_code_amcsd 0002305 |
|
9.4598 9.4598 6.8865 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0024 .97 |
|
Na1 2/3 1/3 .0024 .02 |
|
Mg1 2/3 1/3 .0024 .01 |
|
Ca2 .2452 .9905 .25 .93 |
|
Na2 .2452 .9905 .25 .02 |
|
P .3977 .3696 .25 .93 |
|
O1 .3327 .4875 .25 .89 |
|
O2 .5779 .4602 .25 |
|
O3 .3364 .2532 .0716 .85 |
|
Oh 0 0 .1881 .48 |
|
H 0 0 .0608 .79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RFP - enamel |
|
_database_code_amcsd 0002306 |
|
9.4592 9.4592 6.8816 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0007 .97 |
|
Na1 2/3 1/3 .0007 .02 |
|
Mg1 2/3 1/3 .0007 .01 |
|
Ca2 .2463 .9893 .25 .92 |
|
Na2 .2463 .9893 .25 .02 |
|
P .3998 .3688 .25 .91 |
|
O1 .3286 .4869 .25 .91 |
|
O2 .5772 .4558 .25 .95 |
|
O3 .3444 .2599 .0716 .92 |
|
Oh 0 0 .1748 .55 |
|
H 0 0 .0608 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RFB - enamel |
|
_database_code_amcsd 0002307 |
|
9.4586 9.4586 6.8811 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0026 .97 |
|
Na1 2/3 1/3 .0026 .02 |
|
Mg1 2/3 1/3 .0026 .01 |
|
Ca2 .2460 .9899 .25 .94 |
|
Na2 .2460 .9899 .25 .02 |
|
P .3991 .3694 .25 .95 |
|
O1 .3337 .4875 .25 .91 |
|
O2 .5804 .4600 .25 .97 |
|
O3 .3414 .2579 .0704 .90 |
|
Oh 0 0 .1803 .50 |
|
H 0 0 .0608 .89 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RGP - enamel |
|
_database_code_amcsd 0002308 |
|
9.4554 9.4554 6.8835 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0026 .97 |
|
Na1 2/3 1/3 .0026 .02 |
|
Mg1 2/3 1/3 .0026 .01 |
|
Ca2 .2471 .9909 .25 .94 |
|
Na2 .2471 .9909 .25 .02 |
|
P .3996 .3692 .25 .94 |
|
O1 .3311 .4857 .25 .93 |
|
O2 .5805 .4599 .25 .98 |
|
O3 .3408 .2577 .0718 .91 |
|
Oh 0 0 .1818 .53 |
|
H 0 0 .0608 .81 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RGB - enamel |
|
_database_code_amcsd 0002309 |
|
9.4506 9.4506 6.8780 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0021 .97 |
|
Na1 2/3 1/3 .0021 .02 |
|
Mg1 2/3 1/3 .0021 .01 |
|
Ca2 .2464 .9907 .25 .94 |
|
Na2 .2464 .9907 .25 .02 |
|
Mg2 .2464 .9907 .25 .01 |
|
P .3992 .3692 .25 .95 |
|
O1 .3322 .4864 .25 .94 |
|
O2 .5802 .4608 .25 .97 |
|
O3 .3399 .2565 .0697 .92 |
|
Oh 0 0 .1851 .51 |
|
H 0 0 .0608 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RHP - enamel |
|
_database_code_amcsd 0002310 |
|
9.4586 9.4586 6.8809 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0019 .97 |
|
Na1 2/3 1/3 .0019 .02 |
|
Mg1 2/3 1/3 .0019 .01 |
|
Ca2 .2470 .9912 .25 .93 |
|
Na2 .2470 .9912 .25 .02 |
|
P .3999 .3691 .25 .92 |
|
O1 .3299 .4865 .25 .93 |
|
O2 .5781 .4568 .25 .96 |
|
O3 .3431 .2590 .0713 .92 |
|
Oh 0 0 .1785 .83 |
|
H 0 0 .0608 .73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RHB - enamel |
|
_database_code_amcsd 0002311 |
|
9.4616 9.4616 6.8819 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0015 .97 |
|
Na1 2/3 1/3 .0015 .02 |
|
Mg1 2/3 1/3 .0015 .01 |
|
Ca2 .2476 .9914 .25 .93 |
|
Na2 .2476 .9914 .25 .02 |
|
P .3999 .3693 .25 .95 |
|
O1 .3301 .4847 .25 .94 |
|
O2 .5796 .4590 .25 .96 |
|
O3 .3436 .2592 .0706 .93 |
|
Oh 0 0 .1771 .54 |
|
H 0 0 .0608 .55 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Wilson R M, Elliot J C, Dowker S E P |
|
American Mineralogist 84 (1999) 1406-1414 |
|
Rietveld refinement of the crystallographic structure of human dental |
|
enamel apatites |
|
Sample: RQ1 - enamel |
|
_database_code_amcsd 0002312 |
|
9.4584 9.4584 6.8808 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ca1 2/3 1/3 .0019 .97 |
|
Na1 2/3 1/3 .0019 .02 |
|
Mg1 2/3 1/3 .0019 .01 |
|
Ca2 .2448 .9879 .25 .92 |
|
Na2 .2448 .9879 .25 .02 |
|
P .4025 .3693 .25 .92 |
|
O1 .3310 .4880 .25 .91 |
|
O2 .5821 .4574 .25 .96 |
|
O3 .3437 .2611 .0737 .91 |
|
Oh 0 0 .1817 .51 |
|
H 0 0 .0608 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002520 |
|
9.6499 9.6499 6.7725 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00347 .963 1.26 |
|
Na1 2/3 1/3 .00347 .025 1.26 |
|
La1 2/3 1/3 .00347 .0126 1.26 |
|
Ca2 .00393 .25895 .25 .991 1.17 |
|
La2 .00393 .25895 .25 .0089 1.17 |
|
P .37530 .40780 .25 .97 |
|
O1 .4917 .3437 .25 1.37 |
|
O2 .4659 .5926 .25 1.41 |
|
O3 .2673 .3536 .0677 1.80 |
|
Cl 0 0 .4448 1.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Nd-ClAp |
|
_database_code_amcsd 0002521 |
|
9.6474 9.6474 6.7747 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .0028 .983 1.13 |
|
Nd1 2/3 1/3 .0028 .0172 1.13 |
|
Ca2 .00310 .25786 .25 .952 1.21 |
|
Na2 .00310 .25786 .25 .029 1.21 |
|
Nd2 .00310 .25786 .25 .0191 1.21 |
|
P .37501 .4074 .25 1.06 |
|
O1 .4916 .3429 .25 1.51 |
|
O2 .4659 .5933 .25 1.52 |
|
O3 .2667 .3529 .0678 1.97 |
|
Cl 0 0 .4480 2.23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: Dy-ClAp |
|
_database_code_amcsd 0002522 |
|
9.6487 9.6487 6.7652 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 2/3 1/3 .00299 .933 1.20 |
|
Na1 2/3 1/3 .00299 .036 1.20 |
|
Dy1 2/3 1/3 .00299 .0306 1.20 |
|
Ca2 .00475 .25894 .25 .997 1.15 |
|
Dy2 .00475 .25894 .25 .0026 1.15 |
|
P .37565 .40844 .25 .97 |
|
O1 .4923 .3442 .25 1.40 |
|
O2 .4660 .5930 .25 1.39 |
|
O3 .2673 .3539 .0675 1.76 |
|
Cl 0 0 .4495 1.90 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
Fleet M E, Liu X, Pan Y |
|
American Mineralogist 85 (2000) 1437-1446 |
|
Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: |
|
Uptake, site preference, and degradation of monoclinic structure |
|
Sample: La-ClAp |
|
_database_code_amcsd 0002523 |
|
9.6501 19.3002 6.7724 90 90 120. P2_1/b |
|
atom x y z occ Biso |
|
Ca1 .3227 .58037 .0037 .963 .42 |
|
Na1 .3227 .58037 .0037 .025 .42 |
|
La1 .3227 .58037 .0037 .0126 .42 |
|
Ca1p .3449 .5865 .4968 .963 1.68 |
|
Na1p .3449 .5865 .4968 .025 1.68 |
|
La1p .3449 .5865 .4968 .0126 1.68 |
|
Ca2a .25884 .25185 .2484 .991 1.11 |
|
La2a .25884 .25185 .2484 .0089 1.11 |
|
Ca2b .00426 .62268 .7481 .991 1.23 |
|
La2b .00426 .62268 .7481 .0089 1.23 |
|
Ca2c .25546 .37953 .7501 .991 1.159 |
|
La2c .25546 .37953 .7501 .0089 1.159 |
|
P(a) .40750 .43754 .2555 .94 |
|
P(b) .62463 .26654 .2531 .97 |
|
P(c) .03239 .45376 .7535 .98 |
|
O1a .3436 .49575 .248 1.37 |
|
O1b .4920 .32379 .756 1.33 |
|
O1c .1481 .57837 .257 1.40 |
|
O2a .5921 .48276 .2354 1.17 |
|
O2b .5341 .31366 .241 1.18 |
|
O2c .1268 .54621 .7332 1.15 |
|
O3a .3363 .3796 .0796 1.25 |
|
O3b .7399 .2901 .0755 1.36 |
|
O3c .0792 .4180 .5784 1.36 |
|
O3ap .3696 .3876 .4442 1.06 |
|
O3bp .7260 .2968 .4407 .98 |
|
O3cp .0925 .4350 .9429 .99 |
|
Cl .0017 .24930 .4451 1.58 |
|
|
| Download AMC data (View Text File)
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| |
|
Apatite-(CaF) |
|
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 0003528 |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
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 0003638 |
|
9.4234 9.4234 6.8801 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 .0017 .0148 |
|
Ca2 .99304 .24700 .25 .0137 |
|
P .3688 .3988 .25 .976 .0101 |
|
O1 .4845 .3289 .25 .0150 |
|
O2 .4649 .5866 .25 .0200 |
|
O3 .2580 .3432 .0714 .988 .0240 |
|
O4 0 0 .1950 .5 .023 |
|
H 0 0 .053 .72 .023 |
|
OB3 .36 .43 .47 .014 .025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
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 0003639 |
|
9.4468 9.4468 6.8806 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca1 2/3 1/3 .0018 .0156 |
|
Ca2 .99268 .24830 .25 .0158 |
|
P .3689 .3993 .25 .0130 |
|
O1 .4845 .3287 .25 .0151 |
|
O2 .4649 .5862 .25 .0234 |
|
O3 .2587 .3435 .0710 .0285 |
|
O4 0 0 .1949 .5 .035 |
|
H 0 0 .53 .65 .035 |
|
C 0 0 0 .01 .025 |
|
OA12 .944 .126 .527 .012 .025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0004515 |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0004842 |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
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: UClAP |
|
_database_code_amcsd 0004843 |
|
9.6233 9.6233 6.7784 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 -.00328 .994 .0142 .0168 .0168 .0092 .0084 0 0 |
|
U1 2/3 1/3 -.00328 .006 .0142 .0168 .0168 .0092 .0084 0 0 |
|
Ca2 .26006 .00142 1/4 .993 .0148 .0150 .0172 .0113 .0072 0 0 |
|
U2 .26006 .00142 1/4 .007 .0148 .0150 .0172 .0113 .0072 0 0 |
|
P .40541 .37322 1/4 .0096 .0107 .0094 .0096 .0056 0 0 |
|
O1 .34064 .49039 1/4 .0176 .0270 .0186 .0154 .0175 0 0 |
|
O2 .59083 .46428 1/4 .0188 .0116 .0141 .0293 .0053 0 0 |
|
O3 .35241 .26521 .06722 .0261 .0433 .0225 .0219 .0235 -.0188 -.0123 |
|
Cl 0 0 .05959 .0681 .0220 .0220 .1623 .0110 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0004844 |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaCl) |
|
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: ThClAP |
|
_database_code_amcsd 0004845 |
|
9.6330 9.6330 6.7834 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 -.00277 .977 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Th1 2/3 1/3 -.00277 .023 .0140 .0164 .0164 .0093 .0082 0 0 |
|
Ca2 .99953 .25834 1/4 .979 .0153 .0173 .0175 .0104 .0082 0 0 |
|
Th2 .99953 .25834 1/4 .021 .0153 .0173 .0175 .0104 .0082 0 0 |
|
P .40536 .37319 1/4 .0089 .0102 .0086 .0088 .0055 0 0 |
|
O1 .34060 .49060 1/4 .0172 .0261 .0179 .0151 .0167 0 0 |
|
O2 .5913 .4642 1/4 .0179 .0110 .0135 .0284 .0055 0 0 |
|
O3 .3523 .2651 .0671 .0256 .0430 .0223 .0213 .0237 -.0192 -.0122 |
|
Cl 0 0 -.5594 .0689 .0213 .0213 .1641 .0106 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(SrF) |
| |
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: ThSrFAP |
|
_database_code_amcsd 0004846 |
|
9.7038 9.7038 7.2723 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) |
|
Sr1 2/3 1/3 -.00033 .993 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Th1 2/3 1/3 -.00033 .007 .0094 .0110 .0110 .0060 .0055 0 0 |
|
Sr2 .76004 .01439 1/4 .993 .0084 .0092 .0079 .0083 .0045 0 0 |
|
Th2 .76004 .01438 1/4 .007 .0084 .0092 .0079 .0083 .0045 0 0 |
|
P .60041 .63115 1/4 .0071 .0083 .0067 .0070 .0043 0 0 |
|
O1 .6698 .5189 1/4 .0120 .0158 .0108 .0125 .0090 0 0 |
|
O2 .4177 .5360 1/4 .0129 .0089 .0123 .0155 .0037 0 0 |
|
O3 .6562 .7389 .0788 .0145 .0221 .0131 .0096 .0098 .0059 .0033 |
|
F 0 0 1/4 .0267 .0129 .0129 .0546 .0065 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(SrCl) |
| |
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: ThSrClAP |
|
_database_code_amcsd 0004847 |
|
9.8562 9.8562 7.2095 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) |
|
Sr1 2/3 1/3 .00078 .985 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Th1 2/3 1/3 .00078 .015 .0113 .0127 .0127 .0085 .0064 0 0 |
|
Sr2 .26043 .01125 1/4 .990 .0108 .0115 .0118 .0095 .0060 0 0 |
|
Th2 .26043 .01125 1/4 .010 .0108 .0115 .0118 .0095 .0060 0 0 |
|
P .37108 .40395 1/4 .0077 .0077 .0093 .0071 .0050 0 0 |
|
O1 .4811 .3349 1/4 .0135 .0152 .0178 .0121 .0116 0 0 |
|
O2 .4662 .5847 1/4 .0174 .0125 .0101 .0284 .0047 0 0 |
|
O3 .2665 .3540 .0768 .0208 .0185 .0354 .0141 .0176 -.0071 -.0116 |
|
Cl 0 0 0 .0247 .0199 .0199 .0344 .0100 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0005689 |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0008537 |
|
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)
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View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0008538 |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaF) |
|
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 0008539 |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Sudarsanan K, Young R A |
 |
Acta Crystallographica B25 (1969) 1534-1543 |
|
Significant precision in crystal structural details: Holly Springs |
|
hydroxyapatite |
|
Locality: Holly Springs, Cherokee County, Georgia, USA |
|
Sample: X-23-4 |
|
_database_code_amcsd 0009357 |
|
9.424 9.424 6.879 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) |
|
CaI 1/3 2/3 .0015 .0031 .0031 .0018 .00155 0 0 |
|
CaII .2468 .9934 .25 .0021 .0023 .0028 .0010 0 0 |
|
P .3987 .3685 .25 .0019 .0017 .0025 .0010 0 0 |
|
OI .3284 .4848 .25 .0039 .0030 .0054 .0027 0 0 |
|
OII .5873 .4651 .25 .0020 .0026 .0096 .0009 0 0 |
|
OIII .3437 .2579 .0702 .0092 .0042 .0049 .0045 -.0041 -.0027 |
|
Oh 0 0 .1950 .5 .0025 .0025 .0102 .00125 0 0 |
|
H 0 0 .0608 .5 .0129 .0129 .0104 .00645 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Apatite-(CaOH) |
|
Sudarsanan K, Young R A |
|
Acta Crystallographica B25 (1969) 1534-1543 |
|
Significant precision in crystal structural details: Holly Springs |
|
hydroxyapatite |
|
Locality: Holly Springs, Cherokee County, Georgia, USA |
|
Sample: X-23-6 |
|
_database_code_amcsd 0009358 |
|
9.424 9.424 6.879 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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CaI 1/3 2/3 .0014 .0031 .0031 .0021 .00155 0 0 |
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CaII .2465 .9933 .25 .0021 .0021 .0031 .0010 0 0 |
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P .3985 .3684 .25 .0018 .0017 .0027 .0010 0 0 |
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OI .3282 .4846 .25 .0037 .0029 .0055 .0025 0 0 |
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OII .5871 .4649 .25 .0018 .0028 .0097 .0010 0 0 |
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OIII .3434 .2579 .0704 .0089 .0043 .0053 .0044 -.0038 -.0026 |
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Oh 0 0 .1960 .5 .0026 .0026 .0095 .0013 0 0 |
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H 0 0 .0608 .5 .0129 .0129 .0104 .00645 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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Apatite-(CaOH) |
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Sudarsanan K, Young R A |
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Acta Crystallographica B25 (1969) 1534-1543 |
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Significant precision in crystal structural details: Holly Springs |
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hydroxyapatite |
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Locality: Holly Springs, Cherokee County, Georgia, USA |
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Sample: X-23-10 |
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_database_code_amcsd 0009359 |
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9.424 9.424 6.879 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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CaI 1/3 2/3 .0014 .0032 .0032 .0022 .0016 0 0 |
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CaII .2468 .9934 .25 .0021 .0024 .0030 .0010 0 0 |
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P .3987 .3685 .25 .0020 .0017 .0027 .0011 0 0 |
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OI .3282 .4847 .25 .0040 .0029 .0054 .0026 0 0 |
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OII .5872 .4652 .25 .0019 .0028 .0102 .0011 0 0 |
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OIII .3438 .2581 .0704 .0087 .0045 .0053 .0044 -.0042 -.0024 |
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Oh 0 0 .1955 .5 .0026 .0026 .0098 .0013 0 0 |
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H 0 0 .0608 .5 .0129 .0129 .0104 .00645 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) |
| |
|
Apatite-(CaOH) |
|
Sudarsanan K, Young R A |
|
Acta Crystallographica B25 (1969) 1534-1543 |
|
Significant precision in crystal structural details: Holly Springs |
|
hydroxyapatite |
|
Locality: Holly Springs, Cherokee County, Georgia, USA |
|
Sample: Neutron |
|
_database_code_amcsd 0009360 |
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9.424 9.424 6.879 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) |
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CaI 1/3 2/3 .0013 .0033 .0033 .0024 .00165 0 0 |
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CaII .2465 .9931 .25 .0024 .0025 .0030 .0012 0 0 |
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P .3983 .3683 .25 .0018 .0020 .0026 .0009 0 0 |
|
OI .3282 .4846 .25 .0035 .0028 .0044 .0024 0 0 |
|
OII .5876 .4652 .25 .0020 .0024 .0089 .0009 0 0 |
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OIII .3433 .2579 .0704 .0084 .0039 .0044 .0043 -.0034 -.0021 |
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Oh 0 0 .1978 .5 .0025 .0025 .0101 .00125 0 0 |
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H 0 0 .0608 .5 .0129 .0129 .0104 .00645 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) |
| |
|
Apatite-(SrOH) |
|
Sudarsanan K, Young R A |
|
Acta Crystallographica B28 (1972) 3668-3670 |
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Structure of strontium hydroxide phosphate, Sr5(PO4)3OH |
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Locality: synthetic |
|
_database_code_amcsd 0009467 |
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9.745 9.745 7.265 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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Sr1 1/3 2/3 .0001 .9736 .0030 .0030 .0025 .0015 0 0 |
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Sr2 .2442 .9856 .25 .9824 .0023 .0026 .0034 .0011 0 0 |
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P .4002 .3679 .25 .0020 .0019 .0026 .0011 0 0 |
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O1 .3329 .4812 .25 .0035 .0035 .0054 .0028 0 0 |
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O2 .5834 .4628 .25 .0021 .0033 .0081 .0011 0 0 |
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O3 .3456 .2611 .0786 .0086 .0044 .0041 .0043 -.0031 -.0020 |
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OH 0 0 .1856 .443 .0018 .0018 .0095 .0009 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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