American Mineralogist Crystal Structure Database

9 matching records for this search.

Chlorapatite
Download hom/chlorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol74/AM74_870.pdf
American Mineralogist 74 (1989) 870-876
Structural variations in natural F, OH, and Cl apatites
Locality: Kragero, Norway
_database_code_amcsd 0001258
9.598 9.598 6.776 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 .0027     .00462 .00462 0.0023 .00231      0       0
Ca2  .00112 .25763   .25     .00449 .00526 0.0037 .00228      0       0
P    .37359 .40581   .25     .00310 .00330 0.0034 .00184      0       0
O1    .4902  .3403   .25     0.0059 0.0075 0.0054 0.0051      0       0
O2    .4654  .5908   .25     0.0049 0.0036 0.0109 0.0020      0       0
O3    .2655  .3522 .0684     0.0062 0.0113 0.0076 .00595 -.0035 -.00545
Cl        0      0 .4323 .44 0.0056 0.0056  0.027 0.0028      0       0
F         0      0   .25 .12
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Chlorapatite
Download hom/chlorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol75/AM75_295.pdf
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
atom      x      y     z  occ Biso
Ca11  .3313 .58243 .0020      1.14
Ca12  .3356 .58434 .4980      1.51
Ca21  .2511 .24809 .2498      1.48
Ca22 -.0038 .62258 .7492      1.48
Ca23  .2550 .37554 .7503      1.49
P1    .4018 .43534 .2505      1.01
P2    .6292 .26557 .2508      1.02
P3    .0312 .45093 .7502      1.02
O11   .3346  .4939 .2510      1.41
O12   .4880  .3268 .7511      1.41
O13   .1534  .5829 .2492      1.41
O21   .5894  .4825 .2465      1.63
O22   .5346  .3121 .2490      1.62
O23   .1242  .5447 .7476      1.60
O31   .3441  .3800 .0709      2.00
O32   .7399  .2926 .0710      1.89
O33   .0846  .4217 .5710      1.93
O34   .3508  .3817 .4331      2.00
O35   .7365  .2932 .4329      2.10
O36   .0865  .4258 .9338      2.05
ClB    .000  .2507  .130 .235 1.39
ClA   .0000  .2494 .4345 .235 1.22
F     .0000  .2502  .237 .290 1.40
OH    .0006  .2498  .340 .240 0.14
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Chlorapatite
Download hom/chlorapatite.pdf
Fleet M E, Liu X, Pan Y
Download am/vol85/AM85_1437.pdf
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 0002516
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
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Chlorapatite
Download hom/chlorapatite.pdf
Fleet M E, Liu X, Pan Y
Download am/vol85/AM85_1437.pdf
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 0002517
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
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Chlorapatite
Download hom/chlorapatite.pdf
Fleet M E, Liu X, Pan Y
Download am/vol85/AM85_1437.pdf
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 0002518
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
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Chlorapatite
Download hom/chlorapatite.pdf
Fleet M E, Liu X, Pan Y
Download am/vol85/AM85_1437.pdf
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 0002519
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
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Chlorapatite
Download hom/chlorapatite.pdf
Luo Y, Hughes J M, Rakovan J, Pan Y
Download am/vol94/AM94_345.pdf
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 0004838
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
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Chlorapatite
Download hom/chlorapatite.pdf
Luo Y, Hughes J M, Rakovan J, Pan Y
Download am/vol94/AM94_345.pdf
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 0004840
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
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Chlorapatite
Download hom/chlorapatite.pdf
Hendricks S, Jefferson M, Mosley V
 
Zeitschrift fur Kristallographie 81 (1932) 352-369
The Crystal Structures of Some Natural and Synthetic Apatite-Like
Substances
_cod_database_code 1010916
_database_code_amcsd 0017642
9.52 9.52 6.85 90 90 120 P6_3/m
atom    x    y    z
Ca1   1/3  2/3    0
Ca2   .25    0  .25
P1   .417 .361  .25
O1    1/3   .5  .25
O2     .6 .467  .25
O3    1/3  .25 .064
Cl1     0    0    0
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Total number of retrieved datasets: 9
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