American Mineralogist Crystal Structure Database

7 matching records for this search.

Pyromorphite
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Okudera H
 
American Mineralogist 98 (2013) 1573-1579
Relationships among channel typology and atomic displacements in the structures
of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Locality: Daoping mine, Guangxi, China
_database_code_amcsd 0020246
9.986 9.986 7.3378 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)
Pb1      1/3     2/3 .004761 .939 .015 .01771 .01771 .00996 .00885  .00000  .00000
Ca1      1/3     2/3 .004761 .002 .015 .01771 .01771 .00996 .00885  .00000  .00000
Pb2  .254782 .005989     .25 .939 .016 .01062 .01311 .02438 .00545  .00000  .00000
Ca2  .254782 .005989     .25 .002 .016 .01062 .01311 .02438 .00545  .00000  .00000
P     .41045  .37938     .25 .971 .008 .00915 .00802 .00821 .00463  .00000  .00000
O1    .34162  .48737     .25      .015 .02389 .01396 .01615 .01542  .00000  .00000
O2    .58895  .47422     .25      .018 .00967 .00972 .03003 .00233  .00000  .00000
O3    .36110  .27413  .08057      .023 .03246 .02298 .01854 .01680 -.01205 -.01016
Cl         0       0       0 .956 .017 .01673 .01673 .01717 .00836  .00000  .00000
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Pyromorphite
Download hom/pyromorphite.pdf
Okudera H
 
American Mineralogist 98 (2013) 1573-1579
Relationships among channel typology and atomic displacements in the structures
of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
Locality: Daoping mine, Guangxi, China
_database_code_amcsd 0020247
9.9791 9.9791 7.3439 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)
Pb1      1/3     2/3 .004702 .939 .015 .01733 .01733 .00909 .00866  .00000  .00000
Ca1      1/3     2/3 .004702 .002 .015 .01733 .01733 .00909 .00866  .00000  .00000
Pb2  .254480 .005800     .25 .939 .016 .01043 .01326 .02372 .00550  .00000  .00000
Ca2  .254480 .005800     .25 .002 .016 .01043 .01326 .02372 .00550  .00000  .00000
P     .41002  .37947     .25 .971 .008 .00824 .00661 .00984 .00374  .00000  .00000
O1      .344  .48871     .25      .019 .02713 .02084 .01949 .01912  .00000  .00000
O2    .58908  .47430     .25      .020 .01114 .01297 .03380 .00391  .00000  .00000
O3    .36151  .27281  .08146      .020 .02008 .02040 .01929 .00908 -.00983 -.01136
Cl         0       0       0 .956 .017 .01657 .01657 .01733 .00828  .00000  .00000
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Pyromorphite
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Dai Y S, Hughes J M
Download cm/vol27/CM27_189.pdf
The Canadian Mineralogist 27 (1989) 189-192
Crystal-structure refinements of vanadinite and pyromorphite
_database_code_amcsd 0005226
9.9764 9.9764 7.3511 90 90 120 P6_3/m
atom      x      y     z  Uiso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Pb1     1/3    2/3 .0048        .0032  .0032  .0005   .0016      0      0
Pb2  .25429 .00536   .25        .0021  .0016  .0064   .0008      0      0
P     .4104  .3787   .25        .0007  .0004  .0031 -.00005      0      0
O1     .343   .490   .25 .0032
O2     .590   .475   .25 .0022
O3     .359   .274  .084 .0046
Cl        0      0     0 .0038
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Pyromorphite
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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 1011137
_database_code_amcsd 0018026
9.95 9.95 7.31 90 90 120 P6_3/m
atom    x    y    z
Pb1   1/3  2/3    0
Pb2   .25 .063  .25
P1   .417 .369  .25
O1   .344 .481  .25
O2     .6 .464  .25
O3    .35  .25 .064
Cl1     0    0    0
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Pyromorphite
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Barinova A V, Bonin M, Pushcharovsky D Y, Rastsvetaeva R K, Schenk K,
Dimitrova O V
 
Crystallography Reports 43 (1998) 189-192
Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH)
Locality: synthetic
Note: y(O3) corrected
_database_code_amcsd 0012355
9.774 9.774 7.291 90 90 120 P6_3/m
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb1    1/3   2/3  .4973  .95  .0038  .0038  .0029  .0019      0      0
Pb2  .2364 .2319    .25 1.37  .0029  .0034  .0112  .0038      0      0
P    .4045 .0231    .25   .4  .0015  .0007  .0021  .0009      0      0
O1   .3256 .8415    .25   .5  .0028  .0017  .0005  .0018      0      0
O2   .5860 .1005    .25  1.1  .0017  .0042  .0073  .0025      0      0
O3   .3541 .0813 .08132  1.2  .0045  .0031  .0059  .0038 -.0068 -.0016
OH       0     0      0  4.3  .0058  .0058  .0446  .0029      0      0
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Pyromorphite
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Miyake M, Ishigaki K, Suzuki T
 
Journal of Solid State Chemistry 61 (1986) 230-235
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting
Note: Sample ClAp
Locality: synthetic
Note: apatite group
_database_code_amcsd 0013570
9.990 9.990 7.276 90 90 120 P6_3/m
atom    x    y    z occ Biso
Pb1   1/3  2/3 .013 .69  2.6
Ca1   1/3  2/3 .013 .31  2.6
Pb2  .254 .003  .25 .86  2.2
Ca2  .254 .003  .25 .14  2.2
P    .403 .365  .25      1.6
O1   .322 .481  .25      2.9
O2   .577 .486  .25      1.7
O3   .353 .267 .069      3.7
Cl      0    0 .066  .5  3.7
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Pyromorphite
Download hom/pyromorphite.pdf
Miyake M, Ishigaki K, Suzuki T
 
Journal of Solid State Chemistry 61 (1986) 230-235
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting
Note: Sample OHAp
Locality: synthetic
Note: apatite group
_database_code_amcsd 0013571
9.880 9.880 7.417 90 90 120 P6_3/m
atom    x    y    z occ Biso
Pb1   1/3  2/3 .006 .69  2.7
Ca1   1/3  2/3 .006 .31  2.7
Pb2  .252 .999  .25 .77  2.1
Ca2  .252 .999  .25 .23  2.1
P    .393 .373  .25       .9
O1   .323 .482  .25      3.0
O2   .579 .480  .25      1.1
O3   .349 .267 .075      2.7
OH      0    0 .188  .5  1.7
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Total number of retrieved datasets: 7
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