American Mineralogist Crystal Structure Database

17 matching records for this search.

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 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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
Ca5V3O12F
 
Baikie T, Mercier P H J, Elcombe M M, Kim J Y, Le Page Y, Mitchell L D,
White T J, Whitfield P S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=251
Acta Crystallographica B63 (2007) 251-256
Triclinic apatites
_database_code_amcsd 0009952
9.6987 9.6933 7.0170 90.637 89.172 120.136 P-1
atom     x     y     z
Ca1   .244  .004  .250
Ca2   .001  .245  .261
Ca3   .762 .7690  .244
Ca4   .339  .654  .000
Ca5   .336  .677  .497
V1    .396  .373  .257
V2    .633  .026  .248
V3    .970  .602  .240
O1   .3100 .4860  .267
O2   .5100 .8270  .249
O3    .176  .689  .230
O4    .604 .4740  .270
O5   .5270 .1290 .2240
O6    .870  .404  .271
O7   .3420  .256  .064
O8    .765 .0740  .071
O9    .901 .6470  .049
O10   .662  .758  .555
O11   .266  .903  .550
O12  .0690 .3080  .575
F     .006  .005  .252
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View JMOL 3-D Structure (permalink)
 
Svabite
Download hom/svabite.pdf
Baikie T, Mercier P H J, Elcombe M M, Kim J Y, Le Page Y, Mitchell L D,
White T J, Whitfield P S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=251
Acta Crystallographica B63 (2007) 251-256
Triclinic apatites
Locality: synthetic
_database_code_amcsd 0009953
9.6841 9.6906 6.9815 90.623 88.869 120.371 P-1
atom     x     y     z
Ca1   .234  .990  .249
Ca2   .005  .251  .262
Ca3   .770  .767  .245
Ca4   .345  .653  .003
Ca5   .343  .681  .499
As1  .3980 .3740  .261
As2  .6280 .0240  .239
As3   .975 .6060  .243
O1    .311  .480  .275
O2    .510  .827  .243
O3    .173  .681  .226
O4    .604  .475  .277
O5    .530  .124  .220
O6    .878  .407  .274
O7    .351  .263  .063
O8    .774  .079  .072
O9    .905  .639  .040
O10   .669  .766  .552
O11   .274  .907  .555
O12   .068  .301  .584
F     .007  .007  .245
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Finnemanite
Download hom/finnemanite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Locality: Synthetic
_database_code_amcsd 0020314
10.2972 10.2972 7.0690 90 90 120 P6_3/m
atom        x        y     z Biso
Pb1       1/3      2/3 .9937  1.0
Pb2     .2644    .0360   .25  1.0
As1     .4095    .4032   .25  1.2
O1      .6076    .4653   .25  1.0
O2      .3703    .2789 .0568  1.0
Cl1         0        0     0  1.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 298 K
Locality: Synthetic
_database_code_amcsd 0020315
10.2055 10.2055 7.4483 90 90 120 P6_3/m
atom     x        y      z occ Biso
Pb1    1/3      2/3  .0073      1.3
Pb2  .2491    .0027    .25      1.4
As1  .4060    .3822    .25      1.2
O1   .3268    .4932    .25      1.7
O2   .5965    .4851  .2193  .5  1.9
O3a  .3306    .2444  .0917  .5  1.2
O3b  .3847    .2953  .0501  .5  1.6
O4       0        0    .25 .13  2.5
Cl1      0        0      0 .74  1.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 373 K
Locality: Synthetic
_database_code_amcsd 0020316
10.2224 10.2224 7.4494 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0049
Pb2  .2497 .0043   .25
As1  .4050 .3809   .25
O1   .3282 .4934   .25
O2   .5959 .4833 .2225  .5
O3a  .3310 .2456 .0890  .5
O3b  .3832 .2923 .0544  .5
O4       0     0   .25 .13
Cl       0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 423 K
Locality: Synthetic
_database_code_amcsd 0020317
10.2323 10.2323 7.4533 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0048
Pb2  .2499 .0041   .25
As1  .4048 .3806   .25
O1   .3283 .4924   .25
O2   .5965 .4825 .2214  .5
O3a  .3344 .2484 .0906  .5
O3b  .3910 .2907 .0532  .5
O4       0     0   .25 .13
Cl1      0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 473 K
Locality: Synthetic
_database_code_amcsd 0020318
10.2415 10.2415 7.4594 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0046
Pb2  .2506 .0045   .25
As1  .4057 .3807   .25
O1   .3280 .4921   .25
O2   .5966 .4826 .2227  .5
O3a  .3317 .2477 .0903  .5
O3b  .3821 .2895 .0539  .5
O4       0     0   .25 .13
Cl1      0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 298 K
Locality: Synthetic
_database_code_amcsd 0020319
10.2055 10.2055 7.4483 90 90 120 P6_3/m
atom     x        y      z occ Biso
Pb1    1/3      2/3  .0073      1.3
Pb2  .2491    .0027    .25      1.4
As1  .4060    .3822    .25      1.2
O1   .3268    .4932    .25      1.7
O2   .5965    .4851  .2193  .5  1.9
O3a  .3306    .2444  .0917      1.2
O4       0        0    .25 .13  2.5
Cl1      0        0      0 .74  1.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 298 K
Locality: Synthetic
_database_code_amcsd 0020320
10.2055 10.2055 7.4483 90 90 120 P6_3/m
atom     x        y      z occ Biso
Pb1    1/3      2/3  .0073      1.3
Pb2  .2491    .0027    .25      1.4
As1  .4060    .3822    .25      1.2
O1   .3268    .4932    .25      1.7
O2   .5965    .4851  .2193  .5  1.9
O3b  .3847    .2953  .0501      1.6
O4       0        0    .25 .13  2.5
Cl1      0        0      0 .74  1.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 373 K
Locality: Synthetic
_database_code_amcsd 0020321
10.2224 10.2224 7.4494 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0049
Pb2  .2497 .0043   .25
As1  .4050 .3809   .25
O1   .3282 .4934   .25
O2   .5959 .4833 .2225  .5
O3a  .3310 .2456 .0890
O4       0     0   .25 .13
Cl       0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 373 K
Locality: Synthetic
_database_code_amcsd 0020322
10.2224 10.2224 7.4494 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0049
Pb2  .2497 .0043   .25
As1  .4050 .3809   .25
O1   .3282 .4934   .25
O2   .5959 .4833 .2225  .5
O3b  .3832 .2923 .0544
O4       0     0   .25 .13
Cl       0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 423 K
Locality: Synthetic
_database_code_amcsd 0020323
10.2323 10.2323 7.4533 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0048
Pb2  .2499 .0041   .25
As1  .4048 .3806   .25
O1   .3283 .4924   .25
O2   .5965 .4825 .2214  .5
O3a  .3344 .2484 .0906
O4       0     0   .25 .13
Cl1      0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 423 K
Locality: Synthetic
_database_code_amcsd 0020324
10.2323 10.2323 7.4533 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0048
Pb2  .2499 .0041   .25
As1  .4048 .3806   .25
O1   .3283 .4924   .25
O2   .5965 .4825 .2214  .5
O3b  .3910 .2907 .0532
O4       0     0   .25 .13
Cl1      0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 473 K
Locality: Synthetic
_database_code_amcsd 0020325
10.2415 10.2415 7.4594 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0046
Pb2  .2506 .0045   .25
As1  .4057 .3807   .25
O1   .3280 .4921   .25
O2   .5966 .4826 .2227  .5
O3a  .3317 .2477 .0903
O4       0     0   .25 .13
Cl1      0     0     0 .74
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mimetite
Download hom/mimetite.pdf
Baikie T, Ferraris C, Klooster W T, Madhavi S, Pramana S S, Pring A, Schmidt G,
White T J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=64&spage=34
Acta Crystallographica B64 (2008) 34-41
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
Note: T = 473 K
Locality: Synthetic
_database_code_amcsd 0020326
10.2415 10.2415 7.4594 90 90 120 P6_3/m
atom     x     y     z occ
Pb1    1/3   2/3 .0046
Pb2  .2506 .0045   .25
As1  .4057 .3807   .25
O1   .3280 .4921   .25
O2   .5966 .4826 .2227  .5
O3b  .3821 .2895 .0539
O4       0     0   .25 .13
Cl1      0     0     0 .74
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: 17
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