American Mineralogist Crystal Structure Database

28 matching records for this search.

Feldspar
 
Chiari G, Calleri M, Bruno E, Ribbe P H
Download am/vol60/AM60_111.pdf
American Mineralogist 60 (1975) 111-119
The structure of partially disordered, synthetic strontium feldspar
_database_code_amcsd 0000444
8.388 12.974 14.264 90 115.2 90 I2/c
atom        x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sr      .2690 -.002 .0656      .0021  .0027  .0013  .0001  .0002 -.0002
SiT1(o) .0066 .1746 .1083  .9  .0023  .0015  .0006 -.0005  .0003 -.0001
AlT1(o) .0066 .1746 .1083  .1  .0023  .0015  .0006 -.0005  .0003 -.0001
SiT1(z) .0032 .1775 .6164  .1  .0036  .0016  .0004 -.0002  .0006  .0000
AlT1(z) .0032 .1775 .6164  .9  .0036  .0016  .0004 -.0002  .0006  .0000
SiT2(o) .6934 .1200 .1706  .1  .0019  .0016  .0004 -.0002  .0001 -.0001
AlT2(o) .6934 .1200 .1706  .9  .0019  .0016  .0004 -.0002  .0001 -.0001
SiT2(z) .6845 .1137 .6716  .9  .0035  .0012  .0006  .0001  .0005  .0001
AlT2(z) .6845 .1137 .6716  .1  .0035  .0012  .0006  .0001  .0005  .0001
OA(1)   .0045 .1289 .0003      .0039  .0023  .0006  .0009  .0008 -.0002
OA(2)   .5911 .0002 .1427      .0030  .0017  .0013  .0008  .0003  .0004
OB(o)   .8267 .1266 .1054      .0057  .0028  .0012 -.0002  .0017 -.0002
OB(z)   .8104 .1263 .6113      .0036  .0031  .0017 -.0013  .0016  .0000
OC(o)   .0132 .2984 .1186      .0043  .0026  .0007 -.0011  .0000 -.0004
OC(z)   .0188 .3090 .6304      .0043  .0021  .0018 -.0005  .0013 -.0002
OD(o)   .1876 .1245 .1955      .0058  .0029  .0010  .0003  .0006  .0002
OD(z)   .1960 .1190 .7027      .0036  .0031  .0006  .0004 -.0003 -.0001
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Paracelsian
Download hom/paracelsian.pdf
Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J
Download am/vol70/AM70_969.pdf
American Mineralogist 70 (1985) 969-974
Two independent refinements of the structure of paracelsian, BaAl2Si2O8
Locality: Benallt Mine, Carnarvonshire, U.K.
Sample: CG refinement
_database_code_amcsd 0000997
9.072 9.588 8.577 90 90.21 90 P2_1/a
atom      x      y      z Uiso
Ba   .89778 .41169 .25051 .008
Al1  .06389 .19453 .57128 .005
Si1  .06737 .19879 .93951 .005
Al2  .22539 .92092 .93134 .005
Si2  .23099 .91692 .56341 .006
O1o   .1953  .0886  .9985 .010
O1m   .1935  .0737  .5044 .010
O2o   .1285  .3604  .9569 .008
O2m   .1313  .3632  .5450 .008
O3o   .9273  .1850  .0575 .010
O3m   .9117  .1852  .4494 .010
O4    .0192  .1666  .7632 .013
O5    .2936  .9107  .7422 .011
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Paracelsian
Download hom/paracelsian.pdf
Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J
Download am/vol70/AM70_969.pdf
American Mineralogist 70 (1985) 969-974
Two independent refinements of the structure of paracelsian, BaAl2Si2O8
Locality: Benallt Mine, Carnarvonshire, U.K.
Sample: CLG refinement
_database_code_amcsd 0000998
9.065 9.568 8.578 90 90.01 90 P2_1/a
atom      x      y      z Uiso
Ba   .89785 .41174 .25107 .008
Al1   .0642  .1939  .5726 .005
Si1   .0688  .1994  .9411 .004
Al2   .2242  .9214  .9302 .005
Si2   .2307  .9167  .5625 .005
O1o   .1948  .0898  .9991 .008
O1m   .1925  .0725  .5038 .011
O2o   .1272  .3605  .9556 .010
O2m   .1315  .3642  .5445 .008
O3o   .9298  .1848  .0595 .008
O3m   .9091  .1844  .4495 .005
O4    .0188  .1657  .7642 .012
O5    .2916  .9108  .7390 .009
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Muscovite-3T
 
Amisano-Canesi A, Chiari G, Ferraris G, Ivaldi G, Soboleva S V
 
European Journal of Mineralogy 6 (1994) 489-496
Muscovite- and phengite-3T: crystal structure and conditions of formation
Locality: Kazakhstan
_database_code_amcsd 0006546
5.212 5.212 29.804 90 90 120 P3_112
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .1285 .2570    1/6  .93 .0266  .0269  .0273  .0257  .0137  .0002      0
Na   .1285 .2570    1/6  .03 .0266  .0269  .0273  .0257  .0137  .0002      0
AlM2 .7966 .8983      0      .0069   .009  .0058  .0069  .0045      0 -.0001
AlM3 .4570 .2285      0  .50 .0057   .006  .0058  .0049  .0032  .0018  .0009
FeM3 .4570 .2285      0  .25 .0057   .006  .0058  .0049  .0032  .0018  .0009
MgM3 .4570 .2285      0  .21 .0057   .006  .0058  .0049  .0032  .0018  .0009
TiM3 .4570 .2285      0  .04 .0057   .006  .0058  .0049  .0032  .0018  .0009
SiT1 .7861 .5813 .09046 .828 .0089  .0089  .0093  .0087  .0047  .0002  .0003
AlT1 .7861 .5813 .09046 .172 .0089  .0089  .0093  .0087  .0047  .0002  .0003
SiT2 .4689 .9219 .09055 .822 .0087  .0086  .0086  .0090  .0042  .0002  .0000
AlT2 .4689 .9219 .09055 .178 .0087  .0086  .0086  .0090  .0042  .0002  .0000
O1   .7491 .5683  .0359       .014   .011   .015   .014   .005   .000   .002
O2   .5042 .9422  .0359       .014   .016   .014   .011   .008  -.001 -.0006
O3   .6624 .7857 .11309       .017   .020   .018   .017   .013  -.001   .000
O4   .1280 .7084 .10697       .019   .016   .018   .016   .004   .001   .003
O5   .5920  .252  .1126       .018   .019   .017   .018   .010   .000   .000
O6   .1259 .1912 .03462       .016   .017   .017   .017   .010   .000  -.001
H     .014  .291   .042        .03
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Muscovite-3T
 
Amisano-Canesi A, Chiari G, Ferraris G, Ivaldi G, Soboleva S V
 
European Journal of Mineralogy 6 (1994) 489-496
Muscovite- and phengite-3T: crystal structure and conditions of formation
Locality: Dora-Maira
_database_code_amcsd 0006547
5.212 5.212 29.804 90 90 120 P3_112
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K    .1277 .2554    1/6  .92 .0103  .0304  .0293  .0318  .0147  -.0005      0
Na   .1277 .2554    1/6  .01 .0103  .0304  .0293  .0318  .0147  -.0005      0
AlM2 .7969 .8985      0      .0132  .0069  .0129  .0066  .0066       0  .0002
MgM2 .7969 .8985      0  .60 .0132  .0069  .0129  .0066  .0066       0  .0002
TiM3 .4556 .2278      0  .01 .0121  .0117  .0118  .0130  .0058       0  .0007
AlM3 .4556 .2278      0  .41 .0121  .0117  .0118  .0130  .0058       0  .0007
TiM3 .4556 .2278      0  .01 .0121  .0117  .0118  .0130  .0058       0  .0007
AlT1 .7862 .5812 .09029 .115 .0109  .0115  .0105  .0116  .0061   .0000  .0005
SiT1 .7862 .5812 .09029 .885 .0109  .0115  .0105  .0116  .0061   .0000  .0005
AlT2 .4678 .9209 .09024 .115 .0105  .0099  .0088  .0122  .0041  -.0003 -.0001
SiT2 .4678 .9209 .09024 .885 .0105  .0099  .0088  .0122  .0041  -.0003 -.0001
O1   .7558 .5683 .03612       .017   .018   .020  .0155    .01   .0000  .0015
O2   .4998 .9374 .03620      .0160   .018   .016  .0156  .0093  -.0003  .0005
O3   .6519 .7750 .11282      .0182   .021   .018  .0186  .0120  -.0009  .0005
O4   .1264 .7179 .10738      .0193   .017   .019   .019   .007    .001  .0012
O5   .6019 .2510 .11251       .021   .025   .017   .019   .010  -.0006 -.0014
O6   .1236 .1939 .03511      .0193   .024   .020  .0184   .014  -.0003 -.0017
H     .102  .359   .030        .05
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Palygorskite
Download hom/palygorskite.pdf
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: MP
_database_code_amcsd 0006953
13.304 17.876 5.251 90 107.01 90 C2/m
atom     x     y    z
Si1   .185 .0817 .069
Si2   .209 .1673 .587
Mg2      0  .086   .5
Mg3      0  .207    0
OH    .092     0  .52
O1    .069  .099 .117
O2    .092  .174 .640
Wat1  .078  .312 -.04
O3    .225     0 .006
O4     .25   .25   .5
O5    .238  .106 .383
O6    .247  .126 .882
WatZ1    0  .349   .5
WatZ2    0  .421    0
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Palygorskite
Download hom/palygorskite.pdf
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: OP
_database_code_amcsd 0006954
12.762 17.882 5.249 90 90 90 Pbmn
atom     x     y    z
Si1   .240 .0848 .809
Si2  .2059 .1667 .326
Mg2      0  .084   .5
Mg3      0  .148    0
OH    .076     0 .288
O1    .113  .091 .780
O2    .079  .164 .321
Wat1  .086  .238 .856
O3    .275     0 .852
O4     .25   .25 .378
O5    .268  .118 .533
O6    .219  .140 .041
WatZ1    0  .406   .5
WatZ2    0 .4278    0
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Maya Blue
 
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: Mp+indigo
_database_code_amcsd 0006955
13.380 17.885 5.250 90 106.81 90 C2/m
atom     x     y     z  occ
Si1   .213  .099  .076
Si2   .215 .1733  .633
Mg2      0  .086    .5
Mg3      0  .156     0
OH    .085     0   .44
O1    .091  .080 -.082
O2    .098  .168  .679
Wat1  .077  .248  .055
O3    .163     0   .00
O4     .25   .25    .5
O5    .223  .117  .391
O6    .288  .135  .908
WatZ1    0  .348    .5  .74
WatZ2    0  .395     0  .74
C1       0    .5 .3634  .09
C2       0 .5776 .2015 .044
C3       0 .5465 .0625  .09
C4       0 .5835 .3017  .09
C5       0 .5404 .5233  .09
N1       0 .4394 .2018 .044
Oin      0 .6444 .2633 .044
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Maya Blue
 
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: Op+indigo
_database_code_amcsd 0006956
12.720 17.886 5.254 90 90 90 Pbmn
atom     x     y     z  occ
Si1   .221 .0824  .787
Si2   .205 .1657  .326
Mg2      0  .093    .5
Mg3      0  .170     0
OH    .029     0  .278
O1    .094  .092  .807
O2    .076  .156  .334
Wat1  .110  .238  .780
O3    .204     0  .919
O4     .25   .25  .232
O5    .274  .111  .516
O6    .219  .129  .054
WatZ1    0  .369    .5  .65
WatZ2    0    .5     0  .65
C1       0    .5 .3633  .11
C2       0 .5747 .1905 .056
C3       0 .5437 .0631  .11
C4       0 .5806 .3027  .11
C5       0 .5376 .5245  .11
N1       0 .4366 .2015 .056
Oin      0 .6414 .2631 .056
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Maya Blue
 
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: MP (3 cells+indigo)
_database_code_amcsd 0006957
13.410 17.891 15.740 90 107.06 90 C2/m
atom       x     y     z  occ
Si1     .714  .413  .325
Si1'    .272  .413  .013
Si1''   .714  .413  .659
Si2     .705   1/3  .494
Si2'    .273   1/3  .844
Si2''   .705   1/3  .827
Mg2       .5  .416    .5
Mg2'      .5  .416   5/6
Mg3       .5   .34     0
Mg3'      .5   .34   2/3
OH      .424    .5  .539
OH'     .571    .5  .805
OH''    .424    .5  .873
O1      .587   .41  .287
O1'     .399   .41   .05
O1''    .587   .41  .621
O2       .58  .347  .467
O2'     .398  .347  .871
O2''     .58  .347    .8
Wat1    .584  .245  .648
Wat1'   .383  .245  .686
Wat1''  .584  .245  .982
O3      .243    .5  .004
O3'     .751    .5  .671
O3''    .243    .5  .671
O4       .25   .75    .5
O4'      .25   .75   5/6
O4''     .25   .75   5/6
O5      .742  .372  .418
O5'     .239  .372   .92
O5''    .742  .372  .751
O6      .754  .368  .589
O6'     .228  .368  .749
O6''    .754  .368  .922
WatZ1     .5  .155    .5  .73
WatZ1'    .5  .155   5/6  .73
WatZ2     .5  .084     0  .73
WatZ2'    .5  .084   2/3  .73
C1     .0017    .5 .4549  .27
C2     .0036 .5747 .4013 .135
C3     .0068 .5436  .314  .27
C4     .0097 .5806 .2349  .27
C5     .0124 .5376 .1616  .27
N1     .0036 .4367 .4014 .135
Oin    .0029 .6413 .4218 .135
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Maya Blue
 
Chiari G, Giustetto R, Ricchiardi G
 
European Journal of Mineralogy 15 (2003) 21-33
Crystal structure refinements of palygorskite and Maya Blue from molecular
modeling and powder synchrotron diffraction
Sample: OP (3 cells+indigo)
_database_code_amcsd 0006958
12.709 17.896 15.775 90 90 90 Pbmn
atom       x     y     z occ
Si1     .223  .915  .601
Si1'    .723  .585  .733
Si1''   .223  .915  .934
Si2     .218  .835  .437
Si2'    .718  .665  .896
Si2''   .218  .835  .771
Mg2        0  .919    .5
Mg2'       0  .919   5/6
Mg3        0  .842     0
Mg3'       0  .842   2/3
OH      .926     0  .218
OH'     .926     0  .552
OH''    .926     0  .886
O1      .095  .912  .595
O1'     .595  .588  .739
O1''    .095  .912  .928
O2      .092  .849  .441
O2'     .592  .651  .892
O2''    .092  .849  .775
Wat1    .399  .752   .29
Wat1'   .399  .752  .625
Wat1''  .399  .752  .956
O3       .75     0  .392
O3'      .75     0     0
O3''     .25    .5  .941
O4       .25   .75  .439
O4'      .75   .75  .894
O4''     .25   .75  .773
O5      .265  .875  .519
O5'     .765  .626  .815
O5''    .265  .875  .852
O6      .254   .87   .35
O6'     .754   .63  .984
O6''    .254   .87  .683
WatZ1     .5 .8703    .5 .66
WatZ1'    .5 .8703   5/6 .66
WatZ2     .5 .9435     0 .66
WatZ2'    .5 .9435   2/3 .66
C1      .004    .5 .4546 .34
C2     .0088 .5747 .4009 .17
C3     .0165 .5436 .3131 .34
C4     .0235 .5806 .2336 .34
C5       .03 .5375   .16 .34
N1     .0087 .4367  .401 .17
Oin    .0069 .6413 .4214 .17
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Palygorskite
Download hom/palygorskite.pdf
Guistetto R, Chiari G
 
European Journal of Mineralogy 16 (2004) 521-532
Crystal structure refinement of palygorskite from neutron powder diffraction
Locality: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico
Note: Occupancies created to match reported formula
_database_code_amcsd 0007074
13.337 17.879 5.264 90 105.27 90 C2/m
atom     x     y    z occ Uiso
MgM2     0  .101   .5 .54  .21
AlM2     0  .101   .5 .39  .21
FeM2     0  .101   .5 .06  .21
KM2      0  .101   .5 .01  .21
MgM3     0  .201    0 .54  .21
AlM3     0  .201    0 .39  .21
FeM3     0  .201    0 .06  .21
KM3      0  .201    0 .01  .21
SiT1  .196 .0889 .155 .99  .38
AlT1  .196 .0889 .155 .01  .38
SiT2  .210 .1772 .643 .99  .38
AlT2  .210 .1772 .643 .01  .38
OH    .083     0  .59     .088
O1    .084  .113 .198     .088
O2    .094  .189 .691     .088
Wat1  .089  .299 .055     .088
O3    .222     0 .123     .088
O4     .25   .25   .5     .088
O5    .237  .107 .471     .088
O6    .239  .137 .935     .088
OZW1     0  .291   .5  .5 .026
DZW1'  .98  .330 .363 .13 .026
DZW1" .051  .318  .47 .37 .026
OZW2  .963  .417 .223  .5 .026
DZW2' .082  .458  .82 .13 .026
DZW2' .028  .439  .19 .13 .026
DZW2" .055  .369  .69 .37 .026
DZW2" .947  .453 .321 .37 .026
OZW3  .134    .5 .150     .026
DZW3' .181  .455  .17 .26 .026
DZW3" .180    .5 .081 .74 .026
DZW3" .091  .458 .078 .37 .026
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Palygorskite
Download hom/palygorskite.pdf
Guistetto R, Chiari G
 
European Journal of Mineralogy 16 (2004) 521-532
Crystal structure refinement of palygorskite from neutron powder diffraction
Locality: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico
Note: Occupancies created to match reported formula
_database_code_amcsd 0007075
12.672 17.875 5.236 90 90 90 Pbmn
atom     x     y    z occ Uiso
MgM2     0 .0868   .5 .54  .61
AlM2     0 .0868   .5 .39  .61
FeM2     0 .0868   .5 .06  .61
KM2      0 .0868   .5 .01  .61
MgM3     0  .177    0 .54  .61
AlM3     0  .177    0 .39  .61
FeM3     0  .177    0 .06  .61
KM3      0  .177    0 .01  .61
SiT1  .236 .0861 .780 .99 .057
AlT1  .236 .0861 .780 .01 .057
SiT2  .210 .1663 .312 .99 .057
AlT2  .210 .1663 .312 .01 .057
OH    .060     0 .277     .042
O1    .109  .104 .785     .042
O2    .082 .1715 .341     .042
Wat1  .079  .272 .878     .042
O3    .275     0 .827     .042
O4     .25   .25 .229     .042
O5    .284 .1372 .548     .042
O6    .214 .1056 .079     .042
OZW2  .064  .365 .216  .5 .008
DZW2' .081  .411  .26 .33 .008
DZW2' .915  .378  .98 .33 .008
DZW2" .140  .352  .26 .17 .008
DZW2" .959  .319  .85 .17 .008
OZW3  .148    .5 .333     .008
DZW3' .198 .4600 .258 .66 .008
DZW3" .185    .5 .492 .35 .008
DZW3" .208    .5  .21 .35 .008
OZW4     0  .487    0  .5 .008
DZW4' .043  .489 .122 .25 .008
DZW4' .013  .444  .07 .25 .008
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Maya Blue
 
Giustetto R, Levy D, Chiari G
 
European Journal of Mineralogy 18 (2006) 629-640
Crystal structure refinement of Maya Blue pigment prepared with deuterated
indigo, using neutron powder diffraction
Locality: starting palygorskite from Chapas, Mexico
_database_code_amcsd 0007166
13.338 17.795 5.265 90 105.46 90 C2/m
atom       x     y     z occ Uiso
Mg2        0 .0880    .5 .56  .12
Al2        0 .0880    .5 .41  .12
Fe2        0 .0880    .5 .03  .12
Mg3        0  .191     0 .56  .12
Al3        0  .191     0 .41  .12
Fe3        0  .191     0 .03  .12
Si1     .189 .0902  .132      .40
Si2     .206 .1768  .640      .40
O1      .069  .091  .149     .076
O2      .085  .185  .657     .076
OH      .109     0   .64     .076
Ow1     .081  .292 -.016     .076
DWH1     .12  .320   .13 .21 .018
O3      .215     0  .110     .076
O4       .25   .25    .5     .076
O5      .231 .1116  .446     .076
O6      .244  .145  .948     .076
OZW1       0  .298    .5 .40 .018
DZW1'   -.02  .339  .364 .18 .018
DZW1^  -.037  .272   .35 .37 .018
OZW2   -.039  .425  .215 .40 .018
DZW2'   .100   .44   .88 .08 .018
DZW2''  .022  .448   .18 .08 .018
DZW2^   .062  .385   .69 .18 .018
DZW2^^  -.06  .418  .038 .18 .018
DZW2*    .09  .399   .73 .15 .018
DZW2**   .06   .41   .95 .15 .018
OZW3    .142    .5  .171 .80 .018
DZW3'   .173  .455   .15 .23 .018
DZW3^   .185    .5   .08 .57 .018
DZW3^^  .088  .483   .06 .29 .018
C1     -.005    .5 .3593 .06 .048
C2     -.010  .424  .192 .03 .048
C3     -.019  .456 -.080 .06 .048
C4      -.03  .418 -.326 .06 .048
C5      -.03  .462 -.555 .06 .048
N1     -.010  .565  .193 .03 .048
Oin    -.008  .356  .256 .03 .048
H1     -.008  .618  .243 .03 .048
D4      -.03  .361 -.327 .06 .048
D5      -.04  .433 -.725 .06 .048
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Maya Blue
 
Giustetto R, Levy D, Chiari G
 
European Journal of Mineralogy 18 (2006) 629-640
Crystal structure refinement of Maya Blue pigment prepared with deuterated
indigo, using neutron powder diffraction
Locality: starting palygorskite from Chapas, Mexico
_database_code_amcsd 0007167
12.636 17.868 5.223 90 90 90 Pbmn
atom       x     y     z occ Uiso
Mg2        0 .0882    .5 .56  .53
Al2        0 .0882    .5 .41  .53
Fe2        0 .0882    .5 .03  .53
Mg3        0  .176     0 .56  .53
Al3        0  .176     0 .41  .53
Fe3        0  .176     0 .03  .53
Si1     .232 .0887  .803     .019
Si2    .2041 .1688  .324     .019
O1      .105 .1009  .759     .029
O2      .077 .1822  .361     .029
OH      .040     0  .269     .029
Ow1     .093  .256  .800     .029
DWH1    .176  .233  .771 .34 .029
DWH1'   .107  .299  .851 .20 .029
DWH1''  .057  .260  .620 .22 .029
O3      .262     0  .805     .029
O4       .25   .25  .239     .029
O5      .275 .1355  .556     .029
O6      .203 .1071  .098     .029
OZW2    .045  .368  .226 .24 .018
DZW2'   .072  .416   .26 .07 .018
DZW2'' -.061  .382   .95 .07 .018
DZW2^   .109  .378   .33 .03 .018
DZW2^^ -.014  .323   .75 .03 .018
DZW2*    .03  .410   .29 .14 .018
DZW2**  .014  .335   .77 .14 .018
OZW3a   .164    .5   .26 .36 .018
OZW3b   .155    .5   .36 .33 .018
DZW3'   .212  .456   .23 .34 .018
DZW3^    .21    .5   .44 .02 .018
DZW3^^   .19    .5   .15 .02 .018
DZW3*   .181  .453   .44 .33 .018
OZW4a      0  .494     0 .19 .018
OZW4b  -.010    .5   .07 .19 .018
DZW4'   .060  .499  .102 .19 .018
DZW4''  .009  .448   .06 .19 .018
C1      .004    .5 .3611 .10 .048
C2      .009  .424  .197 .05 .048
C3      .017  .456 -.072 .10 .048
C4       .03  .418 -.315 .10 .048
C5       .03  .462 -.541 .10 .048
N1      .009  .564  .197 .05 .048
Oin     .007  .357  .259 .05 .048
H1      .008  .618  .247 .05 .048
D4       .03  .362 -.316 .10 .048
D5       .04  .433 -.709 .10 .048
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Weilite
Download hom/weilite.pdf
Ferraris G, Chiari G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=26&spage=403
Acta Crystallographica B26 (1970) 403-409
The crystal structure of CaHAsO4 (weilite)
Locality: synthetic
_database_code_amcsd 0009369
7.0591 6.8906 7.2006 97.43 103.55 87.75 P-1
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca1  .3024 .4323 .2796     .004109 .006989 .002647  .000981 -.002197  .001517
Ca2  .1724 .8339 .6606     .004911 .003588 .003637 -.000997 -.002759  .001838
As1  .2048 .3776 .7243     .001333 .001799 .001228 -.000501 -.001201  .000648
As2  .2978 .9414 .2087     .003079 .004118 .001699  .000421 -.001699  .001201
O2   .3565 .4976 .6274     .008282 .005248 .001917 -.004212 -.001678  .002792
O3   .1361 .1656 .5893     .007273 .004552 .003575 -.003413 -.002098 -.000105
O4   .0235 .5384 .7410     .003875 .005570 .006010  .001866 -.001049  .000053
O5   .3366 .8260 .0003     .002442 .006908 .005492  .000000 -.002989 -.001001
O6   .4650 .1132 .3036  .5 .007698 .009800 .002280 -.003786 -.001416 -.000895
OH6  .4650 .1132 .3036  .5 .007698 .009800 .002280 -.003786 -.001416 -.000895
O7   .0819 .0651 .1601  .5 .004141 .009586 .007098  .002453 -.001311  .004214
OH7  .0819 .0651 .1601  .5 .004141 .009586 .007098  .002453 -.001311  .004214
O8   .2878 .7757 .3537     .012635 .004606 .004715  .003466  .000000  .004003
OH1  .3219 .3363 .9531     .008388 .004713 .003938  .000587  .001049  .002581
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Bytownite
Download hom/bytownite.pdf
Facchinelli A, Bruno E, Chiari G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=34
Acta Crystallographica B35 (1979) 34-42
The structure of bytownite quenched from 1723 K
Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy
Sample: non-split model
Note: T and O anisoB's from ICSD
_database_code_amcsd 0009655
8.183 12.883 14.186 93.38 115.87 90.82 I-1
atom         x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca000    .2670 .9856 .0843 .43 3.64  .0066  .0105  .0040 -.0028  .0019 -.0042
Na000    .2670 .9856 .0843 .07 3.64  .0066  .0105  .0040 -.0028  .0019 -.0042
Ca0i0    .7753 .5352 .5443 .43 1.03  .0042  .0021  .0012  .0008  .0004 -.0001
Na0i0    .7753 .5352 .5443 .07 1.03  .0042  .0021  .0012  .0008  .0004 -.0001
Caz00    .2709 .0302 .5453 .43 1.17  .0047  .0023  .0016  .0012  .0008 -.0003
Naz00    .2709 .0302 .5453 .07 1.17  .0047  .0023  .0016  .0012  .0008 -.0003
Cazi0    .7632 .5048 .0720 .43 5.13  .0063  .0156  .0058 -.0016  .0022 -.0074
Nazi0    .7632 .5048 .0720 .07 5.13  .0063  .0156  .0058 -.0016  .0022 -.0074
AlT10000 .0073 .1597 .1050 .21       .0040  .0016  .0009 -.0006  .0007  .0001
SiT10000 .0073 .1597 .1050 .79       .0040  .0016  .0009 -.0006  .0007  .0001
AlT10z00 .0038 .1639 .6108 .82       .0043  .0012  .0006 -.0005  .0008  .0001
SiT10z00 .0038 .1639 .6108 .18       .0043  .0012  .0006 -.0005  .0008  .0001
AlT1m000 .0009 .8151 .1186  .7       .0036  .0014  .0004  .0004  .0005  .0001
SiT1m000 .0009 .8151 .1186  .3       .0036  .0014  .0004  .0004  .0005  .0001
AlT1mz00 .0031 .8169 .6126 .19       .0045  .0015  .0009  .0006  .0007  .0002
SiT1mz00 .0031 .8169 .6126 .81       .0045  .0015  .0009  .0006  .0007  .0002
AlT20000 .6870 .1117 .1590  .7       .0034  .0010  .0011 -.0001  .0004  .0001
SiT20000 .6870 .1117 .1590  .3       .0034  .0010  .0011 -.0001  .0004  .0001
AlT20z00 .6792 .1065 .6583 .16       .0038  .0011  .0014  .0000  .0006  .0001
SiT20z00 .6792 .1065 .6583 .84       .0038  .0011  .0014  .0000  .0006  .0001
AlT2m000 .6772 .8811 .1804 .18       .0038  .0011  .0014  .0002  .0007  .0002
SiT2m000 .6772 .8811 .1804 .82       .0038  .0011  .0014  .0002  .0007  .0002
AlT2mz00 .6828 .8759 .6777 .72       .0037  .0009  .0009  .0000  .0007  .0004
SiT2mz00 .6828 .8759 .6777 .28       .0037  .0009  .0009  .0000  .0007  .0004
OA1000   .0068 .1265 .9907           .0118  .0030  .0013  .0004  .0029  .0000
OA1z00   .0010 .1260 .4900           .0119  .0020  .0017  .0010  .0026  .0009
OA2000   .5765 .9901 .1395           .0042  .0012  .0016  .0000  .0002  .0005
OA2z00   .5747 .9909 .6384           .0054  .0015  .0020  .0000  .0013  .0005
OB0000   .8191 .1010 .0922           .0065  .0025  .0032 -.0009  .0028  .0000
OB0z00   .8018 .1022 .5935           .0077  .0019  .0036 -.0013  .0034 -.0007
OBm000   .8096 .8548 .1252           .0074  .0028  .0053 -.0003  .0037 -.0006
OBmz00   .8197 .8553 .6173           .0086  .0031  .0049  .0007  .0047  .0000
OC0000   .0125 .2820 .1374           .0090  .0020  .0021 -.0008  .0026  .0000
OC0z00   .0150 .2932 .6475           .0050  .0017  .0023 -.0014  .0007 -.0002
OCm000   .0095 .6814 .1078           .0060  .0027  .0020  .0008  .0009 -.0001
OCmz00   .0083 .6896 .6020           .0064  .0018  .0013  .0007  .0000  .0000
OD0000   .1939 .1065 .1877           .0061  .0025  .0018  .0006  .0002  .0006
OD0z00   .2008 .1040 .6913           .0065  .0021  .0019  .0002 -.0004  .0001
ODm000   .1942 .8676 .2175           .0052  .0022  .0032  .0004 -.0017 -.0005
ODmz00   .1872 .8625 .7117           .0107  .0032  .0027  .0008 -.0003 -.0004
Download AMC data (View Text File)
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Bytownite
Download hom/bytownite.pdf
Facchinelli A, Bruno E, Chiari G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=34
Acta Crystallographica B35 (1979) 34-42
The structure of bytownite quenched from 1723 K
Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy
Sample: BytQ, P-1 model
_database_code_amcsd 0009656
8.183 12.883 14.186 93.38 115.87 90.82 P-1
atom         x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca000    .2665 .9858 .0842 .86 3.71  .0066  .0109  .0039 -.0026  .0019 -.0041
Na000    .2665 .9858 .0842 .14 3.71  .0066  .0109  .0039 -.0026  .0019 -.0041
Ca0i0    .7751 .5352 .5442 .86 1.10  .0047  .0023  .0012  .0009  .0004 -.0002
Na0i0    .7751 .5352 .5442 .14 1.10  .0047  .0023  .0012  .0009  .0004 -.0002
Caz00    .2715 .0306 .5455 .86 1.08  .0042  .0020  .0015  .0011  .0008 -.0002
Naz00    .2715 .0306 .5455 .14 1.08  .0042  .0020  .0015  .0011  .0008 -.0002
Cazi0    .7631 .5040 .0721 .86 5.05  .0066  .0148  .0060 -.0024  .0026 -.0073
Nazi0    .7631 .5040 .0721 .14 5.05  .0066  .0148  .0060 -.0024  .0026 -.0073
AlT10000 .0004 .1656 .1056 .33 1.13
SiT10000 .0004 .1656 .1056 .67 1.13
AlT100i0 .5124 .6548 .6044 .17  .25
SiT100i0 .5124 .6548 .6044 .83  .25
AlT10z00 .0137 .1602 .6118 .67  .48
SiT10z00 .0137 .1602 .6118 .33  .48
AlT10zi0 .4944 .6677 .1099      .42
AlT1m000 .9938 .8100 .1172 .81  .47
SiT1m000 .9938 .8100 .1172 .19  .47
AlT1m0i0 .5075 .3202 .6199 .65  .52
SiT1m0i0 .5075 .3202 .6199 .35  .52
AlT1mz00 .0096 .8206 .6130  .1  .51
SiT1mz00 .0096 .8206 .6130  .9  .51
AlT1mzi0 .4966 .3128 .1122 .33  .93
SiT1mzi0 .4966 .3128 .1122 .67  .93
AlT20000 .6926 .1102 .1567 .74  .53
SiT20000 .6926 .1102 .1567 .26  .53
AlT200i0 .1815 .6127 .6615 .75  .67
SiT200i0 .1815 .6127 .6615 .25  .67
AlT20z00 .6753 .1073 .6612 .38  .53
SiT20z00 .6753 .1073 .6612 .62  .53
AlT20zi0 .1834 .6059 .1547 .02  .03
SiT20zi0 .1834 .6059 .1547 .98  .03
AlT2m000 .6735 .8829 .1831 .26  .76
SiT2m000 .6735 .8829 .1831 .74  .76
AlT2m0i0 .1807 .3792 .6777 .11  .76
SiT2m0i0 .1807 .3792 .6777 .89  .76
AlT2mz00 .6883 .8734 .6757 .64  .58
SiT2mz00 .6883 .8734 .6757 .36  .58
AlT2mzi0 .1776 .3785 .1798  .8  .47
SiT2mzi0 .1776 .3785 .1798  .2  .47
OA1000   .0251 .1303 .9953     1.29
OA10i0   .4905 .6234 .4868      .87
OA1z00   .9854 .1263 .4872     1.02
OA1zi0   .5192 .6264 .9936     1.34
OA2000   .5682 .9926 .1430      .85
OA20i0   .0835 .4875 .6359      .69
OA2z00   .5753 .9870 .6326     1.00
OA2zi0   .0747 .4947 .1442      .88
OB0000   .8109 .1025 .0849     1.29
OB00i0   .3268 .5996 .5990     1.51
OB0z00   .8162 .0971 .6027     1.09
OB0zi0   .2896 .6071 .0852     1.01
OBm000   .8179 .8509 .1368     1.93
OBm0i0   .3026 .3579 .6147     1.33
OBmz00   .8100 .8552 .6070     1.22
OBmzi0   .3308 .3556 .1293     1.80
OC0000   .9992 .2876 .1334     1.26
OC00i0   .5243 .7777 .6411      .83
OC0z00   .0238 .2892 .6439     1.50
OC0zi0   .5083 .7964 .1507      .82
OCm000   .0042 .6772 .1113     1.29
OCm0i0   .5160 .1859 .6042     1.34
OCmz00   .0205 .6947 .5997     1.22
OCmzi0   .4975 .1854 .1041      .49
OD0000   .1846 .1092 .1925     1.19
OD00i0   .7023 .6047 .6831      .96
OD0z00   .2095 .1055 .6871     1.03
OD0zi0   .6909 .6016 .1959     1.36
ODm000   .2031 .8704 .2094      .71
ODm0i0   .6827 .3643 .7267     1.38
ODmz00   .1766 .8584 .7174     1.37
ODmzi0   .7000 .3664 .2056     1.89
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Anorthite
Download hom/anorthite.pdf
Facchinelli A, Bruno E, Chiari G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=34
Acta Crystallographica B35 (1979) 34-42
The structure of bytownite quenched from 1723 K
Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy
Sample: non-split model
Note: T and O anisoB's from ICSD
_database_code_amcsd 0019668
8.183 12.883 14.186 93.38 115.87 90.82 I-1
atom         x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca000    .2670 .9856 .0843 .43 3.64  .0066  .0105  .0040 -.0028  .0019 -.0042
Na000    .2670 .9856 .0843 .07 3.64  .0066  .0105  .0040 -.0028  .0019 -.0042
Ca0i0    .7753 .5352 .5443 .43 1.03  .0042  .0021  .0012  .0008  .0004 -.0001
Na0i0    .7753 .5352 .5443 .07 1.03  .0042  .0021  .0012  .0008  .0004 -.0001
Caz00    .2709 .0302 .5453 .43 1.17  .0047  .0023  .0016  .0012  .0008 -.0003
Naz00    .2709 .0302 .5453 .07 1.17  .0047  .0023  .0016  .0012  .0008 -.0003
Cazi0    .7632 .5048 .0720 .43 5.13  .0063  .0156  .0058 -.0016  .0022 -.0074
Nazi0    .7632 .5048 .0720 .07 5.13  .0063  .0156  .0058 -.0016  .0022 -.0074
AlT10000 .0073 .1597 .1050 .21       .0040  .0016  .0009 -.0006  .0007  .0001
SiT10000 .0073 .1597 .1050 .79       .0040  .0016  .0009 -.0006  .0007  .0001
AlT10z00 .0038 .1639 .6108 .82       .0043  .0012  .0006 -.0005  .0008  .0001
SiT10z00 .0038 .1639 .6108 .18       .0043  .0012  .0006 -.0005  .0008  .0001
AlT1m000 .0009 .8151 .1186  .7       .0036  .0014  .0004  .0004  .0005  .0001
SiT1m000 .0009 .8151 .1186  .3       .0036  .0014  .0004  .0004  .0005  .0001
AlT1mz00 .0031 .8169 .6126 .19       .0045  .0015  .0009  .0006  .0007  .0002
SiT1mz00 .0031 .8169 .6126 .81       .0045  .0015  .0009  .0006  .0007  .0002
AlT20000 .6870 .1117 .1590  .7       .0034  .0010  .0011 -.0001  .0004  .0001
SiT20000 .6870 .1117 .1590  .3       .0034  .0010  .0011 -.0001  .0004  .0001
AlT20z00 .6792 .1065 .6583 .16       .0038  .0011  .0014  .0000  .0006  .0001
SiT20z00 .6792 .1065 .6583 .84       .0038  .0011  .0014  .0000  .0006  .0001
AlT2m000 .6772 .8811 .1804 .18       .0038  .0011  .0014  .0002  .0007  .0002
SiT2m000 .6772 .8811 .1804 .82       .0038  .0011  .0014  .0002  .0007  .0002
AlT2mz00 .6828 .8759 .6777 .72       .0037  .0009  .0009  .0000  .0007  .0004
SiT2mz00 .6828 .8759 .6777 .28       .0037  .0009  .0009  .0000  .0007  .0004
OA1000   .0068 .1265 .9907           .0118  .0030  .0013  .0004  .0029  .0000
OA1z00   .0010 .1260 .4900           .0119  .0020  .0017  .0010  .0026  .0009
OA2000   .5765 .9901 .1395           .0042  .0012  .0016  .0000  .0002  .0005
OA2z00   .5747 .9909 .6384           .0054  .0015  .0020  .0000  .0013  .0005
OB0000   .8191 .1010 .0922           .0065  .0025  .0032 -.0009  .0028  .0000
OB0z00   .8018 .1022 .5935           .0077  .0019  .0036 -.0013  .0034 -.0007
OBm000   .8096 .8548 .1252           .0074  .0028  .0053 -.0003  .0037 -.0006
OBmz00   .8197 .8553 .6173           .0086  .0031  .0049  .0007  .0047  .0000
OC0000   .0125 .2820 .1374           .0090  .0020  .0021 -.0008  .0026  .0000
OC0z00   .0150 .2932 .6475           .0050  .0017  .0023 -.0014  .0007 -.0002
OCm000   .0095 .6814 .1078           .0060  .0027  .0020  .0008  .0009 -.0001
OCmz00   .0083 .6896 .6020           .0064  .0018  .0013  .0007  .0000  .0000
OD0000   .1939 .1065 .1877           .0061  .0025  .0018  .0006  .0002  .0006
OD0z00   .2008 .1040 .6913           .0065  .0021  .0019  .0002 -.0004  .0001
ODm000   .1942 .8676 .2175           .0052  .0022  .0032  .0004 -.0017 -.0005
ODmz00   .1872 .8625 .7117           .0107  .0032  .0027  .0008 -.0003 -.0004
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Facchinelli A, Bruno E, Chiari G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=35&spage=34
Acta Crystallographica B35 (1979) 34-42
The structure of bytownite quenched from 1723 K
Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy
Sample: BytQ, P-1 model
_database_code_amcsd 0019669
8.183 12.883 14.186 93.38 115.87 90.82 P-1
atom         x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca000    .2665 .9858 .0842 .86 3.71  .0066  .0109  .0039 -.0026  .0019 -.0041
Na000    .2665 .9858 .0842 .14 3.71  .0066  .0109  .0039 -.0026  .0019 -.0041
Ca0i0    .7751 .5352 .5442 .86 1.10  .0047  .0023  .0012  .0009  .0004 -.0002
Na0i0    .7751 .5352 .5442 .14 1.10  .0047  .0023  .0012  .0009  .0004 -.0002
Caz00    .2715 .0306 .5455 .86 1.08  .0042  .0020  .0015  .0011  .0008 -.0002
Naz00    .2715 .0306 .5455 .14 1.08  .0042  .0020  .0015  .0011  .0008 -.0002
Cazi0    .7631 .5040 .0721 .86 5.05  .0066  .0148  .0060 -.0024  .0026 -.0073
Nazi0    .7631 .5040 .0721 .14 5.05  .0066  .0148  .0060 -.0024  .0026 -.0073
AlT10000 .0004 .1656 .1056 .33 1.13
SiT10000 .0004 .1656 .1056 .67 1.13
AlT100i0 .5124 .6548 .6044 .17  .25
SiT100i0 .5124 .6548 .6044 .83  .25
AlT10z00 .0137 .1602 .6118 .67  .48
SiT10z00 .0137 .1602 .6118 .33  .48
AlT10zi0 .4944 .6677 .1099      .42
AlT1m000 .9938 .8100 .1172 .81  .47
SiT1m000 .9938 .8100 .1172 .19  .47
AlT1m0i0 .5075 .3202 .6199 .65  .52
SiT1m0i0 .5075 .3202 .6199 .35  .52
AlT1mz00 .0096 .8206 .6130  .1  .51
SiT1mz00 .0096 .8206 .6130  .9  .51
AlT1mzi0 .4966 .3128 .1122 .33  .93
SiT1mzi0 .4966 .3128 .1122 .67  .93
AlT20000 .6926 .1102 .1567 .74  .53
SiT20000 .6926 .1102 .1567 .26  .53
AlT200i0 .1815 .6127 .6615 .75  .67
SiT200i0 .1815 .6127 .6615 .25  .67
AlT20z00 .6753 .1073 .6612 .38  .53
SiT20z00 .6753 .1073 .6612 .62  .53
AlT20zi0 .1834 .6059 .1547 .02  .03
SiT20zi0 .1834 .6059 .1547 .98  .03
AlT2m000 .6735 .8829 .1831 .26  .76
SiT2m000 .6735 .8829 .1831 .74  .76
AlT2m0i0 .1807 .3792 .6777 .11  .76
SiT2m0i0 .1807 .3792 .6777 .89  .76
AlT2mz00 .6883 .8734 .6757 .64  .58
SiT2mz00 .6883 .8734 .6757 .36  .58
AlT2mzi0 .1776 .3785 .1798  .8  .47
SiT2mzi0 .1776 .3785 .1798  .2  .47
OA1000   .0251 .1303 .9953     1.29
OA10i0   .4905 .6234 .4868      .87
OA1z00   .9854 .1263 .4872     1.02
OA1zi0   .5192 .6264 .9936     1.34
OA2000   .5682 .9926 .1430      .85
OA20i0   .0835 .4875 .6359      .69
OA2z00   .5753 .9870 .6326     1.00
OA2zi0   .0747 .4947 .1442      .88
OB0000   .8109 .1025 .0849     1.29
OB00i0   .3268 .5996 .5990     1.51
OB0z00   .8162 .0971 .6027     1.09
OB0zi0   .2896 .6071 .0852     1.01
OBm000   .8179 .8509 .1368     1.93
OBm0i0   .3026 .3579 .6147     1.33
OBmz00   .8100 .8552 .6070     1.22
OBmzi0   .3308 .3556 .1293     1.80
OC0000   .9992 .2876 .1334     1.26
OC00i0   .5243 .7777 .6411      .83
OC0z00   .0238 .2892 .6439     1.50
OC0zi0   .5083 .7964 .1507      .82
OCm000   .0042 .6772 .1113     1.29
OCm0i0   .5160 .1859 .6042     1.34
OCmz00   .0205 .6947 .5997     1.22
OCmzi0   .4975 .1854 .1041      .49
OD0000   .1846 .1092 .1925     1.19
OD00i0   .7023 .6047 .6831      .96
OD0z00   .2095 .1055 .6871     1.03
OD0zi0   .6909 .6016 .1959     1.36
ODm000   .2031 .8704 .2094      .71
ODm0i0   .6827 .3643 .7267     1.38
ODmz00   .1766 .8584 .7174     1.37
ODmzi0   .7000 .3664 .2056     1.89
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bytownite
Download hom/bytownite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020638
8.188 12.822 14.196 93.37 116.04 90.87 P-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .86 .020   .010   .034   .015  -.005   .007  -.010
Na000     .2669 .9838 .0876 .14 .020   .010   .034   .015  -.005   .007  -.010
Ca0i0     .7742 .5336 .5460 .86 .024   .013   .029   .024   .005   .004  -.009
Na0i0     .7742 .5336 .5460 .14 .024   .013   .029   .024   .005   .004  -.009
Caz00     .2680 .0310 .5436 .86 .008   .009   .009   .005   .004   .003   .004
Naz00     .2680 .0310 .5436 .14 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7648 .5146 .0641 .86 .042   .006   .062   .041   .005   .001  -.038
Nazi0     .7648 .5146 .0641 .14 .042   .006   .062   .041   .005   .001  -.038
AlT10000  .0030 .1624 .1035 .05 .014
SiT10000  .0030 .1624 .1035 .95 .014
AlT100i0  .5107 .6555 .6046 .05 .003
SiT100i0  .5107 .6555 .6046 .95 .003
AlT10z00  .0063 .1614 .6110     .008
AlT10zi0  .4992 .6681 .1118     .006
AlT1m000  .9929 .8119 .1178 .87 .009
SiT1m000  .9929 .8119 .1178 .13 .009
AlT1m0i0  .5057 .3187 .6199 .87 .005
SiT1m0i0  .5057 .3187 .6199 .13 .005
SiT1mz00  .0114 .8217 .6133     .007
SiT1mzi0  .4992 .3132 .1114     .008
AlT20000  .6876 .1109 .1524 .81 .007
SiT20000  .6876 .1109 .1524 .19 .007
AlT200i0  .1877 .6128 .6625 .81 .008
SiT200i0  .1877 .6128 .6625 .19 .008
AlT20z00  .6790 .1053 .6645 .02 .008
SiT20z00  .6790 .1053 .6645 .98 .008
AlT20zi0  .1762 .6064 .1532 .02 .009
SiT20zi0  .1762 .6064 .1532 .98 .009
AlT2m000  .6769 .8831 .1875 .05 .009
SiT2m000  .6769 .8831 .1875 .95 .009
AlT2m0i0  .1771 .3803 .6767 .05 .007
SiT2m0i0  .1771 .3803 .6767 .95 .007
AlT2mz00  .6801 .8727 .6714 .91 .008
SiT2mz00  .6801 .8727 .6714 .09 .008
AlT2mzi0  .1862 .3777 .1804 .91 .007
SiT2mzi0  .1862 .3777 .1804 .09 .007
OA1000    .0250 .1250 .9950     .011
OA10i0    .4935 .6270 .4881     .014
OAlz00    .9756 .1237 .4830     .012
OAlzi0    .5086 .6281 .9922     .013
OA2000    .5774 .9924 .1455     .008
OA20i0    .0768 .4883 .6341     .013
OA2z00    .5736 .9901 .6311     .013
OA2zi0    .0727 .4928 .1425     .007
OB0000    .8103 .1041 .0804     .013
OB00i0    .3279 .5980 .5988     .012
OB0z00    .8110 .0995 .6057     .010
OB0zi0    .2918 .6039 .0852     .015
OBm000    .8206 .8522 .1426     .014
OBm0i0    .3003 .3579 .6156     .018
OBmz00    .8095 .8545 .6023     .012
OBmzi0    .3309 .3566 .1239     .020
OC0000    .0057 .2819 .1298     .010
OC00i0    .5204 .7781 .6423     .017
OC0z00    .0189 .2927 .6455     .016
OC0zi0    .5098 .7969 .1503     .013
OCm000    .0024 .6773 .1110     .013
OCm0i0    .5148 .1841 .6054     .011
OCmz00    .0183 .6955 .5976     .014
OCmzi0    .4992 .1886 .1023     .010
OD0000    .1811 .1053 .1922     .013
OD00i0    .6979 .6075 .6839     .014
OD0z00    .2142 .1044 .6852     .010
OD0zi0    .6930 .6035 .1959     .015
ODm000    .2079 .8722 .2108     .011
ODm0i0    .6908 .3653 .7254     .018
ODmz00    .1721 .8581 .7197     .012
ODmzi0    .6966 .3662 .2051     .019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bytownite
Download hom/bytownite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020639
8.188 12.822 14.196 93.37 116.04 90.87 I-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .43 .020   .011   .034   .015  -.005   .007  -.009
Na000     .2669 .9838 .0876 .07 .020   .011   .034   .015  -.005   .007  -.009
Ca0i0     .7741 .5336 .5460 .43 .024   .014   .030   .024   .005   .004  -.009
Na0i0     .7741 .5336 .5460 .07 .024   .014   .030   .024   .005   .004  -.009
Caz00     .2679 .0310 .5435 .43 .008   .009   .009   .005   .004   .003   .004
Naz00     .2679 .0310 .5435 .07 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7650 .5146 .0642 .43 .042   .007   .064   .041   .005   .001  -.038
Nazi0     .7650 .5146 .0642 .07 .042   .007   .064   .041   .005   .001  -.038
AlT10000  .0074 .1585 .1042 .05 .009   .009   .010   .008  -.001   .004   .001
SiT10000  .0074 .1585 .1042 .95 .009   .009   .010   .008  -.001   .004   .001
AlT10z00  .0027 .1648 .6114     .008   .009   .009   .008  -.001   .004   .001
AlT1m000 -.0004 .8154 .1189 .87 .009   .010   .009   .007   .002   .004   .001
SiT1m000 -.0004 .8154 .1189 .13 .009   .010   .009   .007   .002   .004   .001
SiT1mz00  .0054 .8175 .6124     .009   .010   .011   .007   .003   .004   .001
AlT20000  .6877 .1119 .1574 .81 .010   .008   .008   .012      0   .004   .001
SiT20000  .6877 .1119 .1574 .19 .010   .008   .008   .012      0   .004   .001
AlT20z00  .6776 .1058 .6590 .02 .011   .009   .008   .014      0   .004      0
SiT20z00  .6776 .1058 .6590 .98 .011   .009   .008   .014      0   .004      0
AlT2m000  .6770 .8817 .1820 .05 .010   .009   .008   .013   .002   .004   .003
SiT2m000  .6770 .8817 .1820 .95 .010   .009   .008   .013   .002   .004   .003
AlT2mz00  .6832 .8752 .6759 .91 .009   .009   .009   .011   .001   .005   .003
SiT2mz00  .6832 .8752 .6759 .09 .009   .009   .009   .011   .001   .005   .003
OA1000    .0098 .1259 .9916     .018   .028   .018   .010      0   .011   .002
OA1z00   -.0078 .1259 .4876     .018   .030   .017   .013   .004   .014   .003
OA2000    .5771 .9904 .1401     .013   .011   .011   .015   .003   .005   .004
OA2z00    .5730 .9915 .6373     .012   .010   .010   .016      0   .004   .002
OB0000    .8191 .1010 .0897     .019   .015   .015   .029  -.005   .014  -.004
OB0z00    .8019 .1015 .5960     .019   .017   .015   .032  -.003   .016  -.002
OBm000    .8107 .8550 .1294     .029   .020   .021   .054   .002   .024  -.005
OBmz00    .8193 .8554 .6122     .024   .019   .022   .038   .005   .020   .002
OC0000    .0126 .2800 .1357     .016   .016   .012   .020  -.002   .009  -.001
OC0z00    .0142 .2948 .6479     .016   .016   .013   .018  -.003   .007  -.000
OCm000    .0087 .6807 .1083     .015   .013   .013   .015   .004   .004   .001
OCmz00    .0084 .6919 .6001     .016   .018   .013   .015   .004   .004  -.000
OD0000    .1894 .1063 .1881     .018   .015   .017   .014   .003  -.000   .002
OD0z00    .2041 .1040 .6903     .020   .018   .014   .016   .002  -.002   .002
ODm000    .2000 .8690 .2177     .024   .016   .020   .021   .002  -.005  -.006
ODmz00    .1833 .8620 .7128     .029   .023   .023   .022   .004  -.008  -.007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020640
8.188 12.822 14.196 93.37 116.04 90.87 P-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .86 .020   .010   .034   .015  -.005   .007  -.010
Na000     .2669 .9838 .0876 .14 .020   .010   .034   .015  -.005   .007  -.010
Ca0i0     .7742 .5336 .5460 .86 .024   .013   .029   .024   .005   .004  -.009
Na0i0     .7742 .5336 .5460 .14 .024   .013   .029   .024   .005   .004  -.009
Caz00     .2680 .0310 .5436 .86 .008   .009   .009   .005   .004   .003   .004
Naz00     .2680 .0310 .5436 .14 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7648 .5146 .0641 .86 .042   .006   .062   .041   .005   .001  -.038
Nazi0     .7648 .5146 .0641 .14 .042   .006   .062   .041   .005   .001  -.038
AlT10000  .0030 .1624 .1035 .05 .014
SiT10000  .0030 .1624 .1035 .95 .014
AlT100i0  .5107 .6555 .6046 .05 .003
SiT100i0  .5107 .6555 .6046 .95 .003
AlT10z00  .0063 .1614 .6110     .008
AlT10zi0  .4992 .6681 .1118     .006
AlT1m000  .9929 .8119 .1178 .87 .009
SiT1m000  .9929 .8119 .1178 .13 .009
AlT1m0i0  .5057 .3187 .6199 .87 .005
SiT1m0i0  .5057 .3187 .6199 .13 .005
SiT1mz00  .0114 .8217 .6133     .007
SiT1mzi0  .4992 .3132 .1114     .008
AlT20000  .6876 .1109 .1524 .81 .007
SiT20000  .6876 .1109 .1524 .19 .007
AlT200i0  .1877 .6128 .6625 .81 .008
SiT200i0  .1877 .6128 .6625 .19 .008
AlT20z00  .6790 .1053 .6645 .02 .008
SiT20z00  .6790 .1053 .6645 .98 .008
AlT20zi0  .1762 .6064 .1532 .02 .009
SiT20zi0  .1762 .6064 .1532 .98 .009
AlT2m000  .6769 .8831 .1875 .05 .009
SiT2m000  .6769 .8831 .1875 .95 .009
AlT2m0i0  .1771 .3803 .6767 .05 .007
SiT2m0i0  .1771 .3803 .6767 .95 .007
AlT2mz00  .6801 .8727 .6714 .91 .008
SiT2mz00  .6801 .8727 .6714 .09 .008
AlT2mzi0  .1862 .3777 .1804 .91 .007
SiT2mzi0  .1862 .3777 .1804 .09 .007
OA1000    .0250 .1250 .9950     .011
OA10i0    .4935 .6270 .4881     .014
OAlz00    .9756 .1237 .4830     .012
OAlzi0    .5086 .6281 .9922     .013
OA2000    .5774 .9924 .1455     .008
OA20i0    .0768 .4883 .6341     .013
OA2z00    .5736 .9901 .6311     .013
OA2zi0    .0727 .4928 .1425     .007
OB0000    .8103 .1041 .0804     .013
OB00i0    .3279 .5980 .5988     .012
OB0z00    .8110 .0995 .6057     .010
OB0zi0    .2918 .6039 .0852     .015
OBm000    .8206 .8522 .1426     .014
OBm0i0    .3003 .3579 .6156     .018
OBmz00    .8095 .8545 .6023     .012
OBmzi0    .3309 .3566 .1239     .020
OC0000    .0057 .2819 .1298     .010
OC00i0    .5204 .7781 .6423     .017
OC0z00    .0189 .2927 .6455     .016
OC0zi0    .5098 .7969 .1503     .013
OCm000    .0024 .6773 .1110     .013
OCm0i0    .5148 .1841 .6054     .011
OCmz00    .0183 .6955 .5976     .014
OCmzi0    .4992 .1886 .1023     .010
OD0000    .1811 .1053 .1922     .013
OD00i0    .6979 .6075 .6839     .014
OD0z00    .2142 .1044 .6852     .010
OD0zi0    .6930 .6035 .1959     .015
ODm000    .2079 .8722 .2108     .011
ODm0i0    .6908 .3653 .7254     .018
ODmz00    .1721 .8581 .7197     .012
ODmzi0    .6966 .3662 .2051     .019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Chiari G, Benna P, Bruno E
Download zk/vol169/ZK169_35.pdf
Zeitschrift fur Kristallographie 169 (1984) 35-49
The structure of bytownite (An85). A new refinement
Locality: Traversella stock, Sesia Lanzo zone, Western Alps, Italy
_database_code_amcsd 0020641
8.188 12.822 14.196 93.37 116.04 90.87 I-1
atom          x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca000     .2669 .9838 .0876 .43 .020   .011   .034   .015  -.005   .007  -.009
Na000     .2669 .9838 .0876 .07 .020   .011   .034   .015  -.005   .007  -.009
Ca0i0     .7741 .5336 .5460 .43 .024   .014   .030   .024   .005   .004  -.009
Na0i0     .7741 .5336 .5460 .07 .024   .014   .030   .024   .005   .004  -.009
Caz00     .2679 .0310 .5435 .43 .008   .009   .009   .005   .004   .003   .004
Naz00     .2679 .0310 .5435 .07 .008   .009   .009   .005   .004   .003   .004
Cazi0     .7650 .5146 .0642 .43 .042   .007   .064   .041   .005   .001  -.038
Nazi0     .7650 .5146 .0642 .07 .042   .007   .064   .041   .005   .001  -.038
AlT10000  .0074 .1585 .1042 .05 .009   .009   .010   .008  -.001   .004   .001
SiT10000  .0074 .1585 .1042 .95 .009   .009   .010   .008  -.001   .004   .001
AlT10z00  .0027 .1648 .6114     .008   .009   .009   .008  -.001   .004   .001
AlT1m000 -.0004 .8154 .1189 .87 .009   .010   .009   .007   .002   .004   .001
SiT1m000 -.0004 .8154 .1189 .13 .009   .010   .009   .007   .002   .004   .001
SiT1mz00  .0054 .8175 .6124     .009   .010   .011   .007   .003   .004   .001
AlT20000  .6877 .1119 .1574 .81 .010   .008   .008   .012      0   .004   .001
SiT20000  .6877 .1119 .1574 .19 .010   .008   .008   .012      0   .004   .001
AlT20z00  .6776 .1058 .6590 .02 .011   .009   .008   .014      0   .004      0
SiT20z00  .6776 .1058 .6590 .98 .011   .009   .008   .014      0   .004      0
AlT2m000  .6770 .8817 .1820 .05 .010   .009   .008   .013   .002   .004   .003
SiT2m000  .6770 .8817 .1820 .95 .010   .009   .008   .013   .002   .004   .003
AlT2mz00  .6832 .8752 .6759 .91 .009   .009   .009   .011   .001   .005   .003
SiT2mz00  .6832 .8752 .6759 .09 .009   .009   .009   .011   .001   .005   .003
OA1000    .0098 .1259 .9916     .018   .028   .018   .010      0   .011   .002
OA1z00   -.0078 .1259 .4876     .018   .030   .017   .013   .004   .014   .003
OA2000    .5771 .9904 .1401     .013   .011   .011   .015   .003   .005   .004
OA2z00    .5730 .9915 .6373     .012   .010   .010   .016      0   .004   .002
OB0000    .8191 .1010 .0897     .019   .015   .015   .029  -.005   .014  -.004
OB0z00    .8019 .1015 .5960     .019   .017   .015   .032  -.003   .016  -.002
OBm000    .8107 .8550 .1294     .029   .020   .021   .054   .002   .024  -.005
OBmz00    .8193 .8554 .6122     .024   .019   .022   .038   .005   .020   .002
OC0000    .0126 .2800 .1357     .016   .016   .012   .020  -.002   .009  -.001
OC0z00    .0142 .2948 .6479     .016   .016   .013   .018  -.003   .007  -.000
OCm000    .0087 .6807 .1083     .015   .013   .013   .015   .004   .004   .001
OCmz00    .0084 .6919 .6001     .016   .018   .013   .015   .004   .004  -.000
OD0000    .1894 .1063 .1881     .018   .015   .017   .014   .003  -.000   .002
OD0z00    .2041 .1040 .6903     .020   .018   .014   .016   .002  -.002   .002
ODm000    .2000 .8690 .2177     .024   .016   .020   .021   .002  -.005  -.006
ODmz00    .1833 .8620 .7128     .029   .023   .023   .022   .004  -.008  -.007
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Svenekite
 
Chiari G, Ferraris G
 
Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali 105 (1971) 725-743
The crystal structure of calcium dihydrogen arsenate, Ca(H2AsO4)2
Locality: synthetic
_database_code_amcsd 0018339
8.558 7.697 5.721 92.583 109.867 109.983 P-1
atom      x      y       z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Ca1  .08155 .18633  .31161 .00541 .00598 .00741 .00099  .00139  .00113
As1  .34162 .23977 -.01531 .00469 .00538 .00884 .00075  .00171  .00119
As2  .18696 .76630  .33088 .00478 .00528 .00946 .00094  .00165  .00086
O1    .1743  .0612   .0029 .00469 .00652 .00982 .00066  .00133  .00139
OH2   .3781  .4013   .2355 .00969 .00978 .01286 .00198  .00368  .00086
OH3   .5319  .2080   .0759 .00568 .01112 .00625 .00170  .00025 -.00033
O4    .3097  .3241  -.2816 .00672 .00820 .00893 .00141  .00120  .00225
OH5   .0473  .6716   .0331 .00757 .00420 .00866 .00075 -.00006  .00099
O6    .1252  .9062   .4767 .00902 .00751 .01054 .00259  .00323  .00113
OH7   .1713  .5671   .4679 .00798 .00761 .01357 .00141  .00177  .00299
O8    .3965  .8607   .3366 .00491 .00820 .01402 .00004  .00165 -.00033
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Fluckite
Download hom/fluckite.pdf
Catti M, Chiari G, Ferraris G
 
Bulletin de Mineralogie 103 (1980) 129-134
Fluckite, CaMn(HAsO4)2*2H2O, a structure related
by pseudo-polytypism to krautite MnHAsO4*H2O
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0012068
8.459 7.613 6.968 82.21 98.25 95.86 P-1
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .1711  .1025  .8733       .0099  .0116  .0127 -.0022  .0035  .0007
Mn    .5764  .1525  .3386       .0133  .0139  .0152  .0006  .0029  .0010
As1  .18007 .13538 .36460       .0104  .0097  .0097  .0018  .0012  .0019
As2  .57539 .22993 .83841       .0104  .0074  .0108  .0000  .0006  .0023
Oh1   .0563  .2882  .4134        .020   .018   .047   .000   .013  -.005
O2    .0867  .0334  .1801        .016   .022   .012  -.009   .001  -.002
O3    .2048 -.0012  .5742        .013   .018   .012   .002   .003   .006
O4    .3436  .2623  .3049        .015   .014   .024  -.002   .005   .005
O5    .3977  .3030  .8462        .013   .011   .024   .004   .008   .003
O6    .6516  .1284  .0558        .020   .018   .011   .006  -.002   .001
O7    .5710  .0998  .6623        .018   .010   .014  -.001   .006   .001
Oh8   .7122  .4063  .7750        .014   .011   .042  -.001   .008   .001
Ow1   .0502  .3720  .8579        .022   .021   .057   .007   .018   .011
Ow2   .7084  .4091  .3621        .029   .023   .018   .001   .004   .004
HOh1  -.023   .247   .424    5
HOh8   .670   .481   .780    2
Hw11   .066   .433   .760   12
Hw12  -.021   .409   .879    5
Hw21   .728   .418   .461    0
Hw22   .667   .489   .299    6
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Ferrarisite
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Catti M, Chiari G, Ferraris G
 
Bulletin de Mineralogie 103 (1980) 541-546
The structure of ferrarisite, Ca5(HAsO4)2(AsO4)2*9H2O:
disorder, hydrogen bonding, and polymorphism with guerinite
Locality: Sainte Marie-aux-Mines, Alsace, France
_database_code_amcsd 0012071
8.294 6.722 11.198 106.16 92.94 99.20 P-1
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  .68248 .61888 .92486           .0109  .0112  .0190  .0026  .0032  .0052
Ca2  .14429 .80632 .92317           .0121  .0112  .0150  .0017  .0033  .0044
Ca3       0      0     .5           .0211  .0292  .0130  .0049  .0042  .0059
As1  .52429 .05829 .84251           .0099  .0099  .0137  .0018  .0021  .0047
As2  .00723 .26663 .83694            .010  .0095  .0119  .0017  .0032  .0042
O1    .4977  .2986  .9207           .0138  .0093  .0253  .0050  .0070  .0055
O2    .6562 -.0360  .9197           .0152  .0133  .0203  .0048 -.0019  .0085
O3    .3459 -.1116  .7934           .0115  .0160  .0182 -.0008  .0013  .0041
Oh4   .5964  .0666  .7006           .0145  .0354  .0169  .0010  .0033  .0105
O5    .1501  .4493  .8080           .0198  .0133  .0218 -.0002  .0083  .0061
O6    .0847  .1522  .9389           .0127  .0121  .0153  .0060  .0002  .0064
O7   -.1465  .3721  .9066           .0143  .0154   .020  .0080  .0066  .0063
O8   -.0725  .0764  .7029           .0212  .0172  .0119  .0004  .0026  .0023
Ow1   .4747  .5309  .7443           .0226  .0190  .0293  .0024  .0014  .0087
Ow2   .8929  .7139  .7724           .0278  .0155  .0237  .0044  .0013  .0082
Ow3   .1105  .3627  .5552            .064   .046   .033  -.017   .001   .014
Ow4   .2554 -.0531  .5718            .041   .132   .032   .043   .004   .028
Wat5  .6911  .4288  .5697  .5        .057   .019    .03   .002    .03   .006
HOh4    .69   .081   .712     .038
Hw1    .381   .471   .777     .038
Hw21   .901   .843   .747     .038
Hw22   .876   .596   .706     .038
Hw31   .212   .447   .514     .038
Hw32   .133   .429   .647     .038
Hw4    .253  -.068   .657     .038
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Wagnerite
Download hom/wagnerite.pdf
Amisano Canesi A, Chiari G
 
European Crystallographic Meeting 14 (1992) 189-189
Refinement of very-high-pressure wagnerite, Mg2(PO4)F
_database_code_amcsd 0012516
9.650 12.731 11.961 90 108.22 90 P2_1/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .5514 .0710 .9137  .0051  .0069  .0067  .0009 -.0000  .0001
Mg2  .4665 .0694 .5998  .0078  .0070  .0064 -.0010  .0028  .0001
Mg3  .0452 .1816 .9200  .0052  .0075  .0070 -.0003  .0013 -.0003
Mg4  .9659 .1773 .6078  .0052  .0073  .0065  .0004  .0016 -.0001
Mg5  .1911 .0190 .1902  .0054  .0090  .0053 -.0021  .0013 -.0011
Mg6  .7887 .0028 .3068  .0050  .0064  .0052 -.0018  .0017  .0013
Mg7  .3059 .2313 .3136  .0063  .0085  .0079  .0001  .0019 -.0002
Mg8  .7071 .2465 .1941  .0063  .0172  .0073 -.0007  .0023  .0003
P1   .1156 .0784 .4256  .0042  .0028  .0034 -.0007  .0007 -.0003
P2   .8797 .0733 .0760  .0037  .0060  .0041  .0015  .0015 -.0006
P3   .3822 .1773 .0749  .0040  .0058  .0047  .0009  .0015 -.0001
P4   .6208 .1798 .4234  .0031  .0051  .0044 -.0014  .0007  .0006
O1   .1748 .1119 .3260   .011   .012   .008  -.001   .003  -.001
O2   .7972 .0935 .1637   .011   .009   .010  -.001   .004   .001
O3   .3150 .1432 .1711   .006   .007   .005  -.004   .003  -.001
O4   .6925 .1512 .3294   .006   .005   .006   .002   .003   .000
O5   .2427 .0490 .5348   .008   .016   .006  -.001   .002   .001
O6   .7684 .0555 .9510   .007   .010   .006  -.003   .001   .002
O7   .2617 .2051 .9597   .004   .006   .007 -.0004   .001   .003
O8   .7397 .2058 .5398   .003   .005   .003   .002  -.002   .001
O9   .9838 .0161 .6211   .007   .003   .005  -.001   .001  -.001
O10  .0249 .0250 .8836   .004   .007   .006  -.002   .002   .001
O11  .4861 .2293 .6177   .007   .011   .009   .003   .002  -.000
O12  .5173 .2243 .8811   .006   .008   .009  -.002   .002   .002
O13  .4706 .0825 .0497   .008   .004   .009   .002   .005  -.000
O14  .5204 .0875 .4396   .007   .006   .007  -.004   .003  -.004
O15  .0256 .1641 .4569   .009   .012   .007  -.001   .003   .001
O16  .9840 .1610 .0692   .007   .009   .007   .002   .002   .003
F1   .4198 .0450 .7545   .014   .017   .009  -.004   .001  -.002
F2   .6747 .0837 .7136   .014   .015   .015   .001   .000   .004
F3   .1755 .1612 .7148   .013   .012   .015  -.001   .000  -.001
F4   .9172 .2081 .7594   .016   .021   .011   .005   .005   .000
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Total number of retrieved datasets: 28
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