American Mineralogist Crystal Structure Database

38 matching records for this search.

Fluorapatite
Download hom/fluorapatite.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: Durango Mexico
_database_code_amcsd 0001256
9.3973 9.3973 6.8782 90 90 120 P6_3/m
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
O3     .2575  .3421 .0705 0.0043 0.0077 0.0055  0.0038 -.0016 -.0026
F          0      0   .25 0.0029 0.0029 0.0022  .00145      0      0
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Fluorapatite
Download hom/fluorapatite.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 0001290
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
Ca2A -.00699 .23861   .25 .890 .00271 .00132 0.0042   .0009      0       0
Ca2B  -.0018  .2709   .25 .110 0.0032 0.0002 0.0037   .0003      0       0
P     .36968 .40053   .25      .00258 .00271 0.0038   .0016      0       0
O1     .4862  .3315   .25      0.0043 0.0055 0.0057  .00365      0       0
O2     .4651  .5884   .25      0.0052 0.0030 0.0110  .00215      0       0
O3     .2597  .3450 .0699      0.0052 0.0106 0.0068   .0053 -.0026 -.00405
F          0      0   .25 .390 0.0029 0.0029 0.0220  .00145      0       0
OH         0      0  .200 .140 0.0030 0.0030 0.0120   .0015      0       0
ClB        0      0  .368 .082 0.0056 0.0056 0.0270   .0028      0       0
ClA        0      0   .44 .083 0.0056 0.0056 0.0270   .0028      0       0
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Pajarito, New Mexico
_database_code_amcsd 0001372
9.4052 9.4052 6.9125 90 90 120 P6_3/m
atom      x      y      z  occ Biso
Ca1     2/3    1/3 -.0012 .677 .986
Na1     2/3    1/3 -.0012 .237 .986
Ce1     2/3    1/3 -.0012 .086 .986
Ca2  .98860 .23885    .25 .847 .885
Ce2  .98860 .23885    .25 .153 .885
P    .36881 .39692    .25 .947  .63
Si   .36881 .39692    .25 .053  .63
O1    .4821  .3233    .25      1.14
O2    .4671  .5853    .25      1.35
O3    .2557  .3396  .0721      1.65
F         0      0    .25      2.50
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from Kipawa, Quebec
_database_code_amcsd 0001373
9.3908 9.3908 6.8988 90 90 120 P6_3/m
atom      x      y     z  occ  Biso
Ca1     2/3    1/3 .0007 .936 1.023
Na1     2/3    1/3 .0007 .025 1.023
Ce1     2/3    1/3 .0007 .039 1.023
Ca2  .99123 .24026   .25 .923 1.018
Ce2  .99123 .24026   .25 .077 1.018
P    .36928 .39832   .25 .927   .72
Si   .36928 .39832   .25 .073   .72
O1    .4843  .3261   .25       1.09
O2    .4667  .5875   .25       1.23
O3    .2572  .3417 .0704       1.47
F         0      0   .25        2.7
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Mariano A N
Download am/vol76/AM76_1165.pdf
American Mineralogist 76 (1991) 1165-1173
Rare-earth-element ordering and structural variations in natural
rare-earth-bearing apatites
sample from the Oka carbonatite
_database_code_amcsd 0001374
9.3995 9.3995 6.8941 90 90 120 P6_3/m
atom      x      y     z  occ Biso
Ca1     2/3    1/3 .0011 .980 .893
Na1     2/3    1/3 .0011 .005 .893
Ce1     2/3    1/3 .0011 .015 .893
Ca2  .99212 .24276   .25 .955 .842
Ce2  .99212 .24276   .25 .045 .842
P    .36875 .39813   .25 .947  .57
Si   .36875 .39813   .25 .053  .57
O1    .4849  .3269   .25       .96
O2    .4659  .5873   .25      1.08
O3    .2573  .3421 .0705      1.32
F         0      0   .25  .74  2.7
OH        0      0  .302  .13  1.3
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
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
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
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Sr.29
_database_code_amcsd 0001422
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
P     .36899 .39827    .25       .51
O1     .4852  .3272    .25       .90
O2     .4670  .5879    .25       .98
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)
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
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
Mn2  -.00708 .24157   .25 .065 .751
P     .36997 .39878   .25       .71
O1     .4883  .3298   .25      1.19
O2     .4656  .5882   .25      2.01
O3     .2581  .3406 .0702      1.87
F          0      0   .25 .740 2.31
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Cameron M, Crowley K D
Download am/vol76/AM76_1857.pdf
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
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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View JMOL 3-D Structure (permalink)
 
Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol80/AM80_329.pdf
American Mineralogist 80 (1995) 329-335
Site preference of rare earth elements in fluorapatite
Sample: La-FAp
_database_code_amcsd 0001723
9.4123 9.4123 6.9080 90 90 120 P6_3/m
atom      x      y     z  occ Biso
Ca1     2/3    1/3 .0006 .888  .88
Na1     2/3    1/3 .0006 .089  .88
La1     2/3    1/3 .0006 .023  .88
Ca2  .98989 .24018   .25 .907 .804
La2  .98989 .24018   .25 .093 .804
P    .36898 .39808   .25 .952 .538
Si   .36898 .39808   .25 .048 .538
O1    .4847  .3268   .25      1.01
O2    .4663  .5872   .25      1.19
O3    .2568  .3406 .0716      1.40
F         0      0   .25      3.05
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol80/AM80_329.pdf
American Mineralogist 80 (1995) 329-335
Site preference of rare earth elements in fluorapatite
Sample: Nd-FAp
_database_code_amcsd 0001724
9.3979 9.3979 6.8997 90 90 120 P6_3/m
atom      x      y     z  occ Biso
Ca1     2/3    1/3 .0000 .901  .89
Na1     2/3    1/3 .0000 .061  .89
Nd1     2/3    1/3 .0000 .038  .89
Ca2  .99024 .24085   .25 .843  .75
Na2  .99024 .24085   .25 .045  .75
Nd2  .99024 .24085   .25 .111  .75
P     .3687  .3975   .25 .947  .52
Si    .3687  .3975   .25 .053  .52
O1    .4830  .3253   .25       .96
O2    .4661  .5859   .25      1.23
O3    .2561  .3406 .0714      1.40
F         0      0   .25      2.94
Download AMC data (View Text File)
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol80/AM80_329.pdf
American Mineralogist 80 (1995) 329-335
Site preference of rare earth elements in fluorapatite
Sample: Gd-FAp
_database_code_amcsd 0001725
9.3853 9.3853 6.8876 90 90 120 P6_3/m
atom      x      y      z  occ Biso
Ca1     2/3    1/3 .00033 .886  .80
Na1     2/3    1/3 .00033 .076  .80
Gd1     2/3    1/3 .00033 .038  .80
Ca2  .99174 .24226    .25 .916 .643
Na2  .99174 .24226    .25 .007 .643
Gd2  .99174 .24226    .25 .077 .643
P    .36842 .39729    .25 .953 .465
Si   .36842 .39729    .25 .047 .465
O1    .4836  .3251    .25       .93
O2    .4670  .5873    .25      1.08
O3    .2560  .3406  .0707      1.30
F         0      0    .25      2.46
Download AMC data (View Text File)
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol80/AM80_329.pdf
American Mineralogist 80 (1995) 329-335
Site preference of rare earth elements in fluorapatite
Sample: Dy-FAp
_database_code_amcsd 0001726
9.3784 9.3784 6.8832 90 90 120 P6_3/m
atom      x      y      z  occ Biso
Ca1     2/3    1/3 .00049 .882  .79
Na1     2/3    1/3 .00049 .079  .79
Dy1     2/3    1/3 .00049 .039  .79
Ca2  .99242 .24285    .25  .94 .614
Dy2  .99242 .24285    .25  .06 .614
P    .36839 .39744    .25 .958 .434
Si   .36839 .39744    .25  .04 .434
O1    .4838  .3252    .25       .88
O2    .4669  .5874    .25      1.01
O3    .2561  .3408  .0711      1.15
F         0      0    .25      2.28
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol82/AM82_870.pdf
American Mineralogist 82 (1997) 870-877
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
substituted crystals
Sample: La,Gd-FAp
_database_code_amcsd 0001934
9.3940 9.3940 6.8967 90 90 120 P6_3/m
atom      x      y      z Biso
Ca1     2/3    1/3 .00040  .81
Ca2  .99093 .24106    .25 .703
P    .36875 .39774    .25 .475
O1    .4838  .3256    .25  .93
O2    .4667  .5869    .25 1.11
O3    .2561  .3405  .0715 1.31
F         0      0    .25 2.46
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol82/AM82_870.pdf
American Mineralogist 82 (1997) 870-877
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
substituted crystals
Sample: Ce,Dy-FAp
_database_code_amcsd 0001935
9.3874 9.3874 6.8920 90 90 120 P6_3/m
atom      x      y     z Biso
Ca1     2/3    1/3 .0007  .81
Ca2  .99103 .24124   .25 .675
P    .36863 .39783   .25 .480
O1    .4845  .3257   .25  .94
O2    .4665  .5865   .25 1.08
O3    .2563  .3408 .0713 1.30
F         0      0   .25 2.32
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol82/AM82_870.pdf
American Mineralogist 82 (1997) 870-877
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
substituted crystals
Sample: Pr,Er-FAp
_database_code_amcsd 0001936
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
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Pan Y
Download am/vol82/AM82_870.pdf
American Mineralogist 82 (1997) 870-877
Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
substituted crystals
Sample: Eu,Lu-FAp
_database_code_amcsd 0001937
9.3812 9.3812 6.8867 90 90 120 P6_3/m
atom      x      y      z Biso
Ca1     2/3    1/3  .0007  .80
Ca2  .99206 .24255    .25 .630
P    .36854 .39764    .25 .492
O1    .4843  .3258    .25  .95
O2    .4665  .5870    .25 1.17
O3    .2566  .3414  .0706 1.16
F         0      0    .25 2.57
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
Download am/vol89/AM89_629.pdf
American Mineralogist 89 (2004) 629-632
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
spectroscopic investigations
_database_code_amcsd 0003527
9.3429 9.3429 6.8110 90 90 120 P6_3/m
atom      x      y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 -.00256 .72 .0131  .0137  .0137  .0118 .00683      0      0
Mn1     1/3    2/3 -.00256 .28 .0131  .0137  .0137  .0118 .00683      0      0
Ca2  .75861 .75194     .25 .96 .0124  .0139  .0124  .0115  .0069      0      0
Mn2  .75861 .75194     .25 .04 .0124  .0139  .0124  .0115  .0069      0      0
P    .60081 .97137     .25     .0095  .0091  .0079  .0117  .0043      0      0
O1    .6690 .15855     .25     .0159  .0202  .0086  .0190  .0074      0      0
O2    .4111  .8767     .25     .0288  .0096  .0138   .062  .0048      0      0
O3    .6591 .91763   .0701     .0274  .0537  .0246  .0156  .0284  .0142  .0066
F         0      0     .25     .0305  .0176  .0176   .056  .0088      0      0
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Fluorapatite
Download hom/fluorapatite.pdf
McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H
Download am/vol93/AM93_210.pdf
American Mineralogist 93 (2008) 210-216
Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal
XRD and NMR spectroscopic study
Locality: synthetic
_database_code_amcsd 0004514
9.441 9.441 6.835 90 90 120 P6_3/m
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1      2/3    1/3 .00159     .00377  .0053  .0053  .0008 .00263      0      0
Ca2  -.00483 .24902    .25     .00676  .0025  .0120  .0021  .0009      0      0
Cl         0      0   .126  .2   .029  .0022  .0022   .081  .0011      0      0
P     .36958 .40062    .25     .00156  .0024  .0024  .0008  .0019      0      0
F          0      0    .25  .5   .019   .007   .007   .042  .0035      0      0
O1     .4860  .3313    .25      .0044  .0033  .0068  .0056  .0044      0      0
O2     .4654  .5889    .25      .0076  .0069  .0026  .0132  .0023      0      0
O3     .2593  .3455  .0695      .0112  .0095  .0229  .0074  .0128 -.0059 -.0093
OH4        0      0    .41 .05    .26
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Liu X
Download am/vol93/AM93_1460.pdf
American Mineralogist 93 (2008) 1460-1469
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
Locality: synthetic
Note: LM130 sample
_database_code_amcsd 0004637
9.3648 9.3648 6.8879 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cal     2/3    1/3 .00095      .0110  .0129  .0129  .0073  .0065      0      0
Ca2  .99233 .24193    .25      .0094  .0091  .0099  .0091  .0045      0      0
P    .36876 .39797    .25 .961 .0065  .0063  .0071  .0066  .0036      0      0
C      .046   .065   .492 .007  .025      0      0      0      0      0      0
O1    .4842  .3257    .25 .996 .0135  .0149  .0165  .0145  .0119      0      0
O2    .4671  .5880    .25 .991 .0157  .0129  .0096  .0239  .0052      0      0
O3    .2570  .3416  .0714      .0189  .0162  .0295  .0149  .0144 -.0043 -.0078
O5     .144   .220   .472 .007  .025
O6     .005   .002   .662 .007  .025
O7     .990   .972   .343 .007  .025
O8     .450   .545    .25 .039  .025
O9     .466   .354    .25 .039  .025
F         0      0    .25 .921 .0203   .011   .011   .039   .006      0      0
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Liu X
Download am/vol93/AM93_1460.pdf
American Mineralogist 93 (2008) 1460-1469
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
Locality: synthetic
Note: LM136 sample
_database_code_amcsd 0004638
9.3679 9.3679 6.8885 90 90 120 P6_3/m
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cal     2/3    1/3 .00111       .0103  .0124  .0124  .0062  .0062      0      0
Ca2  .99234 .24213    .25       .0087  .0085  .0095  .0078  .0044      0      0
P    .36863 .39790    .25  .965 .0059  .0057  .0064  .0058  .0032      0      0
O1    .4846  .3264    .25  .995 .0121  .0116  .0163   .013  .0101      0      0
O2    .4673  .5879    .25  .991 .0143  .0116  .0081   .022  .0042      0      0
O3    .2571  .3417  .0712       .0176  .0162  .0295  .0124  .0142 -.0050 -.0083
C      .046   .065   .492  .013  .025
O5     .144   .220   .472  .013  .025
O6     .005   .002   .662  .013  .025
O7     .990   .972   .343  .013  .025
O8     .425   .529    .25  .035  .025
O9     .434   .323    .25  .035  .025
F         0      0    .25  .842  .015   .008   .008   .029   .004      0      0
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Fluorapatite
Download hom/fluorapatite.pdf
Fleet M E, Liu X
Download am/vol93/AM93_1460.pdf
American Mineralogist 93 (2008) 1460-1469
Accommodation of the carbonate ion in fluorapatite synthesized at high pressure
Locality: synthetic
Note: LM142 sample
_database_code_amcsd 0004639
9.3659 9.3659 6.8901 90 90 120 P6_3/m
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cal     2/3    1/3 .00101       .0111  .0133  .0133  .0069  .0066      0      0
Ca2  .99237 .24201    .25       .0095  .0097  .0105  .0082  .0049      0      0
P    .36873 .39794    .25  .961 .0067  .0067  .0071  .0065  .0036      0      0
O1    .4846  .3262    .25  .992 .0136  .0151  .0171   .014  .0123      0      0
O2    .4674  .5880    .25  .991 .0154  .0136  .0102   .022  .0057      0      0
O3    .2569  .3414  .0713       .0191  .0165  .0297  .0144  .0140 -.0042 -.0078
C      .046   .065   .492  .011  .025
O5     .144   .220   .472  .011  .025
O6     .005   .002   .662  .011  .025
O7     .990   .972   .343  .011  .025
O8     .435   .538    .25  .039  .025
O9     .456   .334    .25  .039  .025
F         0      0    .25  .864  .016   .010   .010   .028   .005      0      0
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Fluorapatite
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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: UFAP
_database_code_amcsd 0004837
9.3709 9.3709 6.8849 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 .00103 .999 .0106  .0121  .0121  .0074  .0060      0      0
Ca2  .75983 .00774    1/4 .986 .0095  .0113  .0091  .0087  .0054      0      0
U2   .75983 .00774    1/4 .014 .0095  .0113  .0091  .0087  .0054      0      0
P    .60199 .63110    1/4      .0069  .0074  .0065  .0070  .0037      0      0
O1    .6747  .5161    1/4      .0116  .0144  .0110  .0130  .0092      0      0
O2   .41220 .53290    1/4      .0132  .0081  .0103  .0198  .0034      0      0
O3   .65863 .74315  .0706      .0153  .0250  .0137  .0105  .0120  .0077  .0046
F         0      0    1/4      .0220  .0125  .0125  .0409  .0063      0      0
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Fluorapatite
Download hom/fluorapatite.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: ThFAP
_database_code_amcsd 0004839
9.375 9.375 6.883 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 .00107 .999 .0107  .0123  .0123  .0075  .0061      0      0
Ca2  .75984 .00764    1/4 .987 .0097  .0115  .0092  .0089  .0054      0      0
Th2  .75984 .00764    1/4 .013 .0097  .0115  .0092  .0089  .0054      0      0
P    .60179 .63095    1/4      .0070  .0074  .0066  .0075  .0038      0      0
O1    .6743 .51573    1/4      .0115  .0144  .0109  .0126  .0090      0      0
O2   .41194 .53296    1/4      .0132  .0075  .0098  .0207  .0032      0      0
O3   .65868 .74320 .07044      .0154  .0246  .0138  .0111  .0121  .0071  .0042
F         0      0    1/4      .0220  .0119  .0119  .0422      0      0  .0060
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Fluorapatite
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Baikie T, Schreyer M K, Wong C L, Pramana S S, Klooster W T, Ferraris C,
McIntyre G J, White T J
 
American Mineralogist 97 (2012) 1574-1581
A multi-domain gem-grade Brazilian apatite
Note: single-crystal neutron at T = 130 K
Locality: Ipira, Bahia Province, Brazil
_database_code_amcsd 0019531
9.3687 9.3687 6.8739 90 90 120 P6_3/m
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaAF   1/3    2/3 -.0013 .987 .0084  .0075  .0075  .0102  .0037      0      0
NaAF   1/3    2/3 -.0013 .013 .0084  .0075  .0075  .0102  .0037      0      0
CaAT .2438 -.0065    1/4      .0018  .0041  .0010  .0020  .0001      0      0
PB   .3986  .3690    1/4 .948 .0074  .0070  .0099  .0054  .0056      0      0
SiB  .3986  .3690    1/4 .030 .0074  .0070  .0099  .0054  .0056      0      0
SB   .3986  .3690    1/4 .022 .0074  .0070  .0099  .0054  .0056      0      0
O1   .3267  .4838    1/4      .0084  .0122  .0087  .0044  .0068      0      0
O2   .5880  .4662    1/4      .0107  .0055  .0099  .0165  .0032      0      0
O3   .3417  .2565  .0702      .0135  .0187  .0106  .0112  .0099 -.0059 -.0025
F4       0      0    .25  .76 .0051
Cl4      0      0    .25  .06 .0051
O4       0      0   .316  .09 .0051
H4       0      0   .472  .09 .0061
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Fluorapatite
Download hom/fluorapatite.pdf
Baikie T, Schreyer M K, Wong C L, Pramana S S, Klooster W T, Ferraris C,
McIntyre G J, White T J
 
American Mineralogist 97 (2012) 1574-1581
A multi-domain gem-grade Brazilian apatite
Note: single-crystal X-ray at T = 100 K
Locality: Ipira, Bahia Province, Brazil
_database_code_amcsd 0019532
9.3687 9.3687 6.8739 90 90 120 P6_3/m
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaAF    1/3     2/3 .00111 .987 .00776  .0091  .0091  .0051 .00454      0      0
NaAF    1/3     2/3 .00111 .013 .00776  .0091  .0091  .0051 .00454      0      0
CaAT .24293 -.00716    1/4      .00724  .0080  .0066  .0070 .00355      0      0
PB   .39852  .36890    1/4 .948  .0057  .0066  .0058  .0056 .00381      0      0
SiB  .39852  .36890    1/4 .030  .0057  .0066  .0058  .0056 .00381      0      0
SB   .39852  .36890    1/4 .022  .0057  .0066  .0058  .0056 .00381      0      0
O1   .32624  .48413    1/4       .0081  .0099  .0072  .0092  .0057      0      0
O2   .58796  .46605    1/4       .0109  .0069  .0084  .0171  .0037      0      0
O3   .34215  .25650 .07012       .0129  .0216  .0110  .0094  .0106 -.0064 -.0035
F4        0       0    .25  .76  .0101
Cl4       0       0    .25  .06  .0101
OH4       0       0   .305  .09  .0101
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Fluorapatite
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Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
McCubbin F M, Woerner W R
 
American Mineralogist 99 (2014) 369-376
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
structure refinements of synthetic F-Cl apatite.
Note: Sample HNF5CL5
Locality: Synthetic
_database_code_amcsd 0020113
9.5104 9.5104 6.8311 90 90 120 P6_3/m
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 -.00218      .01209 .01440 .01440 .00749 .00720      0      0
Ca2  .00354 .25496     .25      .01637 .01227 .02261 .01011 .00562      0      0
P    .96903 .59805     .25      .00844 .00718 .01007 .00797 .00424      0      0
O1   .15329 .66594     .25      .01403  .0077  .0201  .0141  .0067      0      0
O2   .87623 .41095     .25       .0179  .0136  .0107  .0262  .0037      0      0
O3    .9080  .6442   .0630  .70  .0164  .0108  .0268  .0112  .0092 -.0016  .0056
O3'   .9300  .6745   .0851  .30  .0164  .0108  .0268  .0112  .0092 -.0016  .0056
Cl        0      0       0 .078   .021
ClB       0      0   .0859 .127  .0116
F         0      0     .25 .399  .0132
FB        0      0   .1670 .187  .0059
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
McCubbin F M, Woerner W R
 
American Mineralogist 99 (2014) 369-376
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
structure refinements of synthetic F-Cl apatite.
Note: Sample HNF5CL5-8
Locality: Synthetic
_database_code_amcsd 0020114
9.5101 9.5101 6.83000 90 90 120 P6_3/m
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 -.00218      .01339 .01578 .01578 .00861 .00789      0      0
Ca2  .00352 .25495     .25      .01767 .01366 .02398 .01123 .00630      0      0
P    .96900 .59804     .25      .00975 .00853 .01141 .00918 .00489      0      0
O1   .15326 .66591     .25      .01538  .0094  .0215  .0149  .0075      0      0
O2   .87623 .41101     .25       .0192  .0151  .0120  .0272  .0043      0      0
O3    .9070  .6425   .0629  .66  .0169  .0112  .0248  .0135  .0082 -.0013  .0053
O3'   .9293  .6745   .0823  .34  .0169  .0112  .0248  .0135  .0082 -.0013  .0053
Cl        0      0       0 .081   .025
ClB       0      0   .0865 .131  .0139
F         0      0     .25 .406  .0150
FB        0      0   .1678 .180  .0060
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
McCubbin F M, Woerner W R
 
American Mineralogist 99 (2014) 369-376
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
structure refinements of synthetic F-Cl apatite.
Note: Sample HNF5CL5-9
Locality: Synthetic
_database_code_amcsd 0020115
9.5100 9.5100 6.8289 90 90 120 P6_3/m
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 -.00218      .01214 .01447 .01447 .00747 .00724      0      0
Ca3  .00350 .25496     .25      .01638 .01232 .02260 .01007 .00562      0      0
P    .96902 .59804     .25      .00846 .00711 .01009 .00806 .00420      0      0
O1   .15326 .66587     .25      .01408  .0078  .0203  .0138  .0068      0      0
O2   .87618 .41098     .25       .0180  .0139  .0105  .0264  .0037      0      0
O3    .9080  .6440   .0630  .70  .0162  .0108  .0262  .0113  .0091 -.0016  .0056
O3'   .9302  .6752   .0849  .30  .0162  .0108  .0262  .0113  .0091 -.0016  .0056
Cl        0      0       0 .078   .020
ClB       0      0   .0856 .129  .0121
F         0      0     .25 .402  .0134
FB        0      0   .1668 .181  .0049
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
McCubbin F M, Woerner W R
 
American Mineralogist 99 (2014) 369-376
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
structure refinements of synthetic F-Cl apatite.
Note: HNF5CL5-10
Locality: Synthetic
_database_code_amcsd 0020116
9.5084 9.5084 6.82930 90 90 120 P6_3/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     2/3    1/3 .99782      .01217 .01451 .01451 .00750 .00725      0      0
Ca2  .00349 .25495    .25      .01644 .01235 .02266 .01014 .00563      0      0
P    .96902 .59804    .25      .00849 .00719 .01007 .00810 .00424      0      0
O1   .15333 .66592    .25      .01409  .0077  .0201  .0141  .0067      0      0
O2   .87619 .41100    .25       .0180  .0140  .0105  .0262  .0037      0      0
O3    .9079  .6441  .0629  .70  .0163  .0108  .0268  .0111  .0093 -.0017  .0054
O3'   .9300  .6746  .0852  .30  .0163  .0108  .0268  .0111  .0093 -.0017  .0054
Cl        0      0      0 .076   .019
ClB       0      0  .0854 .128  .0123
F         0      0    .25 .397  .0127
FB        0      0  .1671 .183  .0054
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Fluorapatite
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Rakovan J F, Hughes J M
Download cm/vol38/CM38_839.pdf
The Canadian Mineralogist 38 (2000) 839-845
Strontium in the apatite structure: Strontian fluorapatite and belovite-(Ce)
_database_code_amcsd 0005688
9.416 9.416 6.924 90 90 120 P6_3/m
atom       x       y      z   occ  Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca(1)    2/3     1/3  .0004 .9741  .842 .00341 .00341  .0037 .001705       0       0
Sr(1)    2/3     1/3  .0004 .0259  .842 .00341 .00341  .0037 .001705       0       0
Ca(2) .24967  .01007    1/4 .8229  .912 .00310 .00331 .00448 .001125       0       0
Sr(2) .24967  .01007    1/4 .1771  .912 .00310 .00331 .00448 .001125       0       0
P     .02937  .63066    1/4         .66 .00208 .00230  .0041 .000905       0       0
O(1)   .4849   .3278    1/4        1.16  .0044  .0053  .0068  .00355       0       0
O(2)   .4129   .8794    1/4        1.30  .0027  .0037  .0111   .0014       0       0
O(3)   .0836   .7422  .0721        1.50  .0053  .0043  .0061   .0004 -.00095   .0019
F          0       0    1/4        2.68  .0063  .0063   .025  .00315       0       0
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Fluorapatite
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Comodi P, Liu Y, Zanazzi P F, Montagnoli M
 
Physics and Chemistry of Minerals 28 (2001) 219-224
Structural and vibrational behaviour of fluorapatite with pressure.
Part 1: in situ single-crystal X-ray diffraction investigation
Sample: P = .0001 GPa
_database_code_amcsd 0008534
9.375 9.375 6.887 90 90 120 P6_3/m
atom       x      y     z  Uiso
Ca1      2/3    1/3 .0011 .0130
Ca2  -.00721 .24154   1/4 .0126
P     .36853 .39785   1/4 .0096
O1     .4844  .3267   1/4 .0137
O2     .4666  .5873   1/4 .0163
O3     .2572  .3416 .0705 .0188
F          0      0   1/4 .0266
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Fluorapatite
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Comodi P, Liu Y, Zanazzi P F, Montagnoli M
 
Physics and Chemistry of Minerals 28 (2001) 219-224
Structural and vibrational behaviour of fluorapatite with pressure.
Part 1: in situ single-crystal X-ray diffraction investigation
Sample: P = 3.04 GPa
_database_code_amcsd 0008535
9.268 9.268 6.834 90 90 120 P6_3/m
atom      x     y     z  Uiso
Ca1     2/3   1/3 .0008 .0106
Ca2  -.0096 .2396   1/4 .0095
P     .3681 .3975   1/4 .0078
O1    .4838 .3246   1/4 .0011
O2    .4675 .5880   1/4 .0014
O3    .2562 .3421 .0688 .0171
F         0     0   1/4  .031
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Fluorapatite
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Comodi P, Liu Y, Zanazzi P F, Montagnoli M
 
Physics and Chemistry of Minerals 28 (2001) 219-224
Structural and vibrational behaviour of fluorapatite with pressure.
Part 1: in situ single-crystal X-ray diffraction investigation
Sample: P = 4.72 GPa
_database_code_amcsd 0008536
9.224 9.224 6.805 90 90 120 P6_3/m
atom     x     y     z  Uiso
Ca1    2/3   1/3 .0009 .0105
Ca2  -.011 .2383   1/4 .0100
P    .3683 .3976   1/4 .0072
O1   .4836 .3233   1/4  .010
O2   .4695 .5891   1/4  .014
O3   .2565 .3420 .0694 .0176
F        0     0   1/4  .035
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Fluorapatite
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Naray-Szabo S
 
Zeitschrift fur Kristallographie 75 (1930) 387-398
The structure of apatite (Ca F) Ca4 (P O4)3
_cod_database_code 1011044
_database_code_amcsd 0017946
9.37 9.37 6.88 90 90 120 P6_3/m
atom    x    y    z
F1      0    0  .25
Ca1   1/3  2/3    0
Ca2   .25    0  .25
P1   .416 .361  .25
O1    1/3   .5  .25
O2     .6 .467  .25
O3    1/3  .25 .062
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Fluorapatite
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Hendricks S, Jefferson M, Mosley V
 
Zeitschrift fur Kristallographie 81 (1932) 352-369
The Crystal Structures of Some Natural and Synthetic Apatite-Like
Substances
_cod_database_code 1010996
_database_code_amcsd 0017911
9.37 9.37 6.88 90 90 120 P6_3/m
atom    x    y    z
Ca1   1/3  2/3    0
Ca2   .25    0  .25
P1   .417 .361  .25
O1    1/3   .5  .25
O2     .6 .467  .25
O3    1/3  .25 .063
F1      0    0  .25
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Fluorapatite
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Bale W
 
American Journal of Roentgenology 43 (1940) 735-747
A comparative Roentgen-ray diffraction study of several natural
apatites and the apatite-like constituent of bone and tooth substance
_cod_database_code 1010647
_database_code_amcsd 0017528
9.37 9.37 6.88 90 90 120 P6_3/m
atom    x     y    z
F1      0     0  .25
Ca1   1/3   2/3    0
Ca2  .237 -.015  .25
P1   .416  .361  .25
O1    1/3    .5  .25
O2     .6  .467  .25
O3    1/3   .25 .062
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Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Fransolet A M, Schreyer W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1993 (1993) 504-510
The atomic arrangement of iron-bearing apatite
Locality: Northampton Block, Western Australia
_database_code_amcsd 0020482
9.3916 9.3962 6.8458 90 90 119.9508 P2_1/m
atom       x       y      z   occ Biso
Ca1      2/3     1/3 .00130  .998 .875
Ca2   .24703  .00683    .25 .8427  .71
Ca3    .2715  -.0005    .25  .127  .81
Fe1    .2715  -.0005    .25  .033  .81
Ca4   .75977  .75267    .25   .84  .72
Ca5    .7286   .7312    .25  .127  .78
Fe2    .7286   .7312    .25  .033  .78
Ca6  -.00695  .24006    .25   .84  .71
Ca7    .0014   .2522    .25  .127  .73
Fe3    .0014   .2522    .25  .033  .73
P1    .02969 -.36932    .25        .62
P2   -.39905 -.02963    .25        .63
P3    .36933  .39900    .25        .62
O1     .4856   .3286    .25       1.00
O2    -.1569  -.4853    .25        .98
O3    -.3285   .1571    .25        .95
O4     .4665   .5882    .25       1.19
O5     .1214  -.4666    .25       1.13
O6     .4119  -.1216    .25       1.16
O7     .2582   .3428  .0703       1.37
O8     .0846  -.2584  .0700       1.39
O9    -.3426  -.0846  .0703       1.37
F1    -.0004  -.0002    .25   .75 1.50
Cl1   -.0004  -.0002    .25   .15 1.50
OH10    .001    .001   .328   .05  1.3
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Total number of retrieved datasets: 38
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