American Mineralogist Crystal Structure Database

18 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
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hydroxylapatite
Download hom/hydroxylapatite.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: Holly Springs, Georgia, USA
_database_code_amcsd 0001257
9.4166 9.4166 6.8745 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)
Ca1      2/3    1/3 .00144          .00408 .00408 0.0033 .00204      0      0
Ca2  -.00657 .24706    .25          .00308 .00353 .00417 .00156      0      0
P     .36860 .39866    .25          .00223 .00250 0.0034 .00127      0      0
O1     .4850  .3289    .25          0.0036 0.0044 0.0059  .0027      0      0
O2     .4649  .5871    .25          0.0035 0.0031 0.0105  .0016      0      0
O3     .2580  .3435  .0703          0.0050 0.0096 0.0070 .00505 -.0025 -.0041
O(H)       0      0  .1979  .5      0.0030 0.0030  0.012  .0015      0      0
H          0      0    .04  .5  3.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
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/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
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)
Download hom/apatitecaoh.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: Holly Springs, Georgia, USA
_database_code_amcsd 0001260
9.4166 9.4166 6.8745 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)
Ca1      2/3    1/3 .00144          .00408 .00408 0.0033 .00204      0      0
Ca2  -.00657 .24706    .25          .00308 .00353 .00417 .00156      0      0
P     .36860 .39866    .25          .00223 .00250 0.0034 .00127      0      0
O1     .4850  .3289    .25          0.0036 0.0044 0.0059  .0027      0      0
O2     .4649  .5871    .25          0.0035 0.0031 0.0105  .0016      0      0
O3     .2580  .3435  .0703          0.0050 0.0096 0.0070 .00505 -.0025 -.0041
O(H)       0      0  .1979  .5      0.0030 0.0030  0.012  .0015      0      0
H          0      0    .04  .5  3.3
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)
Download hom/apatitecacl.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 0001261
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
Download AMC data (View Text File)
Download CIF data (View Text File)
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/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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
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/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-(CaCl)
Download hom/apatitecacl.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 0001293
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
Download AMC data (View Text File)
Download CIF data (View Text File)
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 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
Download AMC data (View Text File)
Download CIF data (View Text File)
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 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)
Download CIF data (View Text File)
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 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)
Download CIF data (View Text File)
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)
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.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)
 
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Total number of retrieved datasets: 18
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