American Mineralogist Crystal Structure Database

18 matching records for this search.

Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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: xt371
_database_code_amcsd 0003642
9.4803 9.4803 6.8853 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso
Ca1     2/3    1/3  .0021      .0179
Ca2  .99093 .24944    .25      .0222
P     .3708  .4014    .25 .943 .0160
O1    .4847  .3313    .25      .0198
O2    .4657  .5856    .25      .0368
O3    .2608  .3459  .0723 .971 .0430
O4        0      0    .25  .36  .025
C         0      0      0  .26  .025
OA11   .028   .998   .662 .105  .025
OA12   .953   .123   .536 .049  .025
OA2    .911   .015   .461 .062  .025
OB3    .359   .435   .472 .034  .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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: xt373
_database_code_amcsd 0003643
9.4817 9.4817 6.8843 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso
Ca1     2/3    1/3 .00210      .0175
Ca2  .99095 .24961    .25      .0214
P     .3709  .4014    .25 .941 .0150
O1    .4847  .3310    .25      .0190
O2    .4658  .5855    .25      .0356
O3    .2605  .3460  .0727 .971 .0412
O4        0      0    .25 .122  .025
C         0      0      0  .22  .025
OA11   .023   .000   .661 .098  .025
OA12   .946   .123   .525 .057  .025
OA2    .925   .021   .455 .065  .025
OB3    .348   .421   .477 .041  .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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 0003644
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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 0003645
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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: xt371
_database_code_amcsd 0003646
9.4803 9.4803 6.8853 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso
Ca1     2/3    1/3  .0021      .0179
Ca2  .99093 .24944    .25      .0222
P     .3708  .4014    .25 .943 .0160
O1    .4847  .3313    .25      .0198
O2    .4657  .5856    .25      .0368
O3    .2608  .3459  .0723 .971 .0430
O4        0      0    .25  .36  .025
C         0      0      0  .26  .025
OA11   .028   .998   .662 .105  .025
OA12   .953   .123   .536 .049  .025
OA2    .911   .015   .461 .062  .025
OB3    .359   .435   .472 .034  .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-hydroxylapatite
Download hom/carbonatehydroxylapatite.pdf
Fleet M E, Liu X, King P L
Download am/vol89/AM89_1422.pdf
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: xt373
_database_code_amcsd 0003647
9.4817 9.4817 6.8843 90 90 120 P6_3/m
atom      x      y      z  occ  Uiso
Ca1     2/3    1/3 .00210      .0175
Ca2  .99095 .24961    .25      .0214
P     .3709  .4014    .25 .941 .0150
O1    .4847  .3310    .25      .0190
O2    .4658  .5855    .25      .0356
O3    .2605  .3460  .0727 .971 .0412
O4        0      0    .25 .122  .025
C         0      0      0  .22  .025
OA11   .023   .000   .661 .098  .025
OA12   .946   .123   .525 .057  .025
OA2    .925   .021   .455 .065  .025
OB3    .348   .421   .477 .041  .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Bucknum M J, Castro E A
 
Journal of Chemical Theory and Computation 2 (2006) 775-781
The carbon allotrope hexagonite and its potential
synthesis from cold compression of carbon nanotubes
Locality: hypothetical structure
_database_code_amcsd 0013020
4.89 4.89 3.88 90 90 120 P6/mmm
atom   x   y     z
C1   2/3 1/3 .1840
C2    .5  .5 .3400
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: cubic, 3C structure
Note: theoretically calculated structure values
_database_code_amcsd 0014065
3.5667 3.5667 3.5667 90 90 90 Fd3m
atom  x  y  z
C    .5 .5 .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)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: hexagonal, 2H structure known as lonsdaleite
Note: theoretically calculated structure values
_database_code_amcsd 0014066
2.5221 2.5221 4.1186 90 90 120 P6_3/mmc
atom   x   y      z
C    1/3 2/3 .06250
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: hexagonal, 4H structure
Note: theoretically calculated structure values
_database_code_amcsd 0014067
2.5221 2.5221 8.2371 90 90 120 P6_3/mmc
atom   x   y      z
C1     0   0 .09375
C2   1/3 2/3 .15625
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: hexagonal, 6H structure
Note: theoretically calculated structure values
_database_code_amcsd 0014068
2.5221 2.5221 12.3557 90 90 120 P6_3/mmc
atom   x   y      z
C1     0   0 .18750
C2   1/3 2/3 .52083
C3   1/3 2/3 .64583
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: hexagonal, 8H structure
Note: theoretically calculated structure values
_database_code_amcsd 0014069
2.5221 2.5221 16.4743 90 90 120 P6_3/mmc
atom   x   y      z
C1     0   0 .04688
C2   1/3 2/3 .07813
C3   1/3 2/3 .17188
C4   1/3 2/3 .79688
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: rhombohedral, 15R structure
Note: theoretically calculated structure values
_database_code_amcsd 0014070
2.5221 2.5221 30.8893 90 90 120 R-3m
atom x y     z
C1   0 0  .025
C2   0 0 .1083
C3   0 0 .1583
C4   0 0  .375
C5   0 0  .425
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbon
 
Ownby P D, Yang X, Liu J
 
Journal of the American Ceramic Society 75 (1992) 1876-1883
Calculated X-ray diffraction data for diamond polytypes
Note: rhombohedral, 21R structure
Note: theoretically calculated structure values
_database_code_amcsd 0014071
2.5221 2.5221 43.2450 90 90 120 R-3m
atom x y      z
C1   0 0 .01786
C2   0 0 .17262
C3   0 0 .20833
C4   0 0 .26786
C5   0 0 .30357
C6   0 0 .41071
C7   0 0 .44643
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-fluorapatite
Download hom/carbonatefluorapatite.pdf
Perdikatsis B
 
Materials Science Forum 79 (1991) 809-814
X-ray powder diffraction study of francolite by the Rietveld method
Locality: Epirus, Greece
Sample: T = 26 C
Note: Reported structure does not reproduce reported formula or bondlengths
_database_code_amcsd 0014385
9.3207 9.3207 6.8947 90 90 120 P6_3/m
atom     x     y     z  occ  Biso
Ca1    1/3   2/3 .0009 .318  .801
Ca2  .2403 .9902   .25 .461  .846
P    .3992 .3710   .25 .394  .632
O1   .3295 .4816   .25 .451  .775
O2   .5829 .4643   .25 .493 1.322
O3   .3432 .2601 .0668      2.371
F        0     0   .25 .165 2.339
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-fluorapatite
Download hom/carbonatefluorapatite.pdf
Perdikatsis B
 
Materials Science Forum 79 (1991) 809-814
X-ray powder diffraction study of francolite by the Rietveld method
Locality: Epirus, Greece
Sample: T = 530 C
Note: Reported structure does not reproduce reported formula or bondlengths
_database_code_amcsd 0014386
9.3230 9.3230 6.8987 90 90 120 P6_3/m
atom     x     y     z  occ  Biso
Ca1    1/3   2/3 .0016 .318 1.137
Ca2  .2403 .9897   .25 .478  .742
P    .3999 .3716   .25 .413  .708
O1   .3278 .4825   .25 .461  .773
O2   .5852 .4654   .25 .513 1.792
O3   .3435 .2595 .0677      2.071
F        0     0   .25 .163 1.761
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-fluorapatite
Download hom/carbonatefluorapatite.pdf
Perdikatsis B
 
Materials Science Forum 79 (1991) 809-814
X-ray powder diffraction study of francolite by the Rietveld method
Locality: Epirus, Greece
Sample: T = 750 C
Note: Reported structure does not reproduce reported formula or bondlengths
_database_code_amcsd 0014387
9.3593 9.3593 6.8919 90 90 120 P6_3/m
atom     x     y     z  occ  Biso
Ca1    1/3   2/3 .0002 .328 1.054
Ca2  .2414 .9914   .25 .484  .817
P    .3983 .3689   .25 .454  .973
O1   .3255 .4838   .25 .451  .460
O2   .5870 .4626   .25 .488 1.625
O3   .3420 .2565 .0679      1.649
F        0     0   .25 .171 4.091
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Carbonate-fluorapatite
Download hom/carbonatefluorapatite.pdf
Perdikatsis B
 
Materials Science Forum 79 (1991) 809-814
X-ray powder diffraction study of francolite by the Rietveld method
Locality: Epirus, Greece
Sample: T = 1200 C
Note: Reported structure does not reproduce reported formula or bondlengths
_database_code_amcsd 0014388
9.3708 9.3708 6.8880 90 90 120 P6_3/m
atom     x     y     z  occ  Biso
Ca1    1/3   2/3 .0005 .338 1.194
Ca2  .2410 .9915   .25 .500  .447
P    .3983 .3686   .25 .496  .296
O1   .3223 .4828   .25 .492  .420
O2   .5898 .4638   .25 .499 1.405
O3   .3412 .2558 .0695      1.074
F        0     0   .25 .169 4.091
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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