American Mineralogist Crystal Structure Database

25 matching records for this search.

Apatite-(CaF)
Download hom/apatitecaf.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 0001259
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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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001292
9.4615 9.4615 6.8491 90 90 120 P6_3/m
atom       x      y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1      2/3    1/3 .0018      .00417 .00417 0.0037 .002085      0       0
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
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)
Download hom/apatitecaf.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 0001377
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
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)
Download hom/apatitecaf.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 0001378
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
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)
Download hom/apatitecaf.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 0001379
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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001425
9.3902 9.3902 6.9011 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00086 .984 .850
Sr1      2/3    1/3 .00086 .016 .850
Ca2  -.00854 .24046    .25 .906 .792
Sr2  -.00854 .24046    .25 .094 .792
P     .36912 .39843    .25       .60
O1     .4846  .3269    .25       .95
O2     .4665  .5877    .25      1.13
O3     .2574  .3416  .0711      1.26
F          0      0    .25      2.00
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001426
9.3786 9.3786 6.8922 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00092 .998 .732
Sr1      2/3    1/3 .00092 .002 .732
Ca2  -.00788 .24114    .25 .952 .670
Sr2  -.00788 .24114    .25 .048 .670
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001427
9.3430 9.3430 6.8227 90 90 120 P6_3/m
atom       x      y     z  occ Biso
Ca1      2/3    1/3 .0021 .795 .947
Mn1      2/3    1/3 .0021 .205 .947
Ca2  -.00708 .24157   .25 .935 .751
Mn2  -.00708 .24157   .25 .065 .751
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001428
9.3596 9.3596 6.8603 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00155 .918 .828
Mn1      2/3    1/3 .00155 .083 .828
Ca2  -.00704 .24157    .25 .985 .751
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001727
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001728
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001729
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001730
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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001938
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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 0001939
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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 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)
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 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)
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 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
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View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.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 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
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Apatite-(CaF)
Download hom/apatitecaf.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: 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
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Apatite-(CaF)
Download hom/apatitecaf.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 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
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Apatite-(CaF)
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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 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
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Apatite-(CaF)
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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 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   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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Apatite-(CaF)
Download hom/apatitecaf.pdf
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   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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Apatite-(CaF)
Download hom/apatitecaf.pdf
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   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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