American Mineralogist Crystal Structure Database

6 matching records for this search.

Thermonatrite
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Wu K K, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=890
Acta Crystallographica B31 (1975) 890-892
A neutron diffraction study of Na2CO3*H2O
Locality: synthetic
_database_code_amcsd 0009532
6.472 10.724 5.259 90 90 90 P2_1ab
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1       0  .1932  .1392  .0142  .0190  .0107  .0004  .0011 -.0001
Na2   .0643  .0012 -.3782  .0156  .0139  .0218  .0036 -.0015 -.0018
C    -.2145  .2546  .6024  .0052  .0089  .0125 -.0011 -.0006 -.0008
O1   -.2010  .1389  .5466  .0150  .0084  .0316  .0005 -.0045 -.0046
O2   -.2033  .3366  .4266  .0186  .0179  .0144 -.0002 -.0012  .0027
O3   -.2398  .2883 -.1650  .0164  .0267  .0122 -.0045  .0009 -.0026
O4    .0322 -.0296  .0692  .0189  .0192  .0215 -.0009 -.0012  .0046
H1    .1464 -.0662  .1611  .0253  .0383  .0396  .0062 -.0038  .0030
H2   -.0805 -.0899  .1000  .0268  .0280  .0262  .0025  .0038 -.0020
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Robinsonite
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Skowron A, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=527
Acta Crystallographica C46 (1990) 527-531
Refinement of the structure of robinsonite, Pb4Sb6S13
Locality: synthetic
_database_code_amcsd 0010117
23.698 3.980 24.466 90 93.9 90 I2/m
atom      x  y     z occ Uiso
SbM1  .6901 .5 .7983 .59 .020
PbM1  .6901 .5 .7983 .41 .020
SbM2  .5053 .5 .8117 .15 .027
PbM2  .5053 .5 .8117 .85 .027
SbM3  .4365 .0 .9438 .92 .026
PbM3  .4365 .0 .9438 .08 .026
SbM4  .6172 .0 .9228 .84 .027
PbM4  .6172 .0 .9228 .16 .027
SbM10 .5068 .5 .3527 .84 .025
PbM10 .5068 .5 .3527 .16 .025
SbM11 .4206 .5 .5114 .76 .034
PbM11 .4206 .5 .5114 .24 .034
SbM12 .3431 .5 .6706 .73 .029
PbM12 .3431 .5 .6706 .27 .029
PbM13 .1811 .0 .6627     .032
PbM14 .2698 .0 .5216     .021
SbM15 .3559 .0 .3694 .12 .038
PbM15 .3559 .0 .3694 .88 .038
S1    .6921 .5 .9088     .015
S2    .5258 .5 .9251     .019
S3    .4199 .0 .8444     .012
S4    .5934 .0 .8235     .015
S5    .7627 .0 .8132     .020
S6    .3629 .5 .9507     .017
S10   .4090 .5 .3101     .018
S11   .3279 .5 .4579     .016
S12   .2509 .5 .6108     .013
S13   .3046 .0 .7281     .026
S14   .3782 .0 .5766     .019
S15   .4545 .0 .4347     .024
S16   .5335 .0 .2896     .031
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Boulangerite
Download hom/boulangerite.pdf
Skowron A, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=531
Acta Crystallographica C46 (1990) 531-534
Refinement of the structure of boulangerite, Pb5Sb4S11
Locality: synthetic
_database_code_amcsd 0010118
23.490 21.245 4.020 90 90 90 Pnam
atom      x     y   z occ Uiso
SbM1  .2675 .5505 .75 .76 .035
PbM1  .2675 .5505 .75 .24 .035
SbM2  .4325 .4580 .75  .5 .037
PbM2  .4325 .4580 .75  .5 .037
SbM3  .5975 .3688 .75 .41 .031
PbM3  .5975 .3688 .75 .59 .031
SbM1O .4625 .2889 .75     .031
SbM11 .2953 .3820 .75     .043
SbM12 .1290 .4855 .75 .68 .032
PbM12 .1290 .4855 .75 .32 .032
PbM13 .0021 .6179 .75     .032
PbM14 .1602 .3062 .25     .021
PbM15 .3229 .2080 .25     .022
S1    .6743 .3454 .25     .022
S2    .5166 .4304 .25     .022
S3    .3620 .5147 .25     .021
S4    .2057 .5962 .25     .033
S10   .4137 .1876 .75     .017
S11   .2486 .2780 .75     .015
S12   .0878 .3717 .75     .015
S13   .0593 .5126 .25     .033
S14   .2180 .4187 .25     .024
S15   .3725 .3319 .25     .030
S16   .5293 .2531 .25     .023
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Pb2Sb2S5
 
Skowron A, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=534
Acta Crystallographica C46 (1990) 534-536
Structure of Pb2Sb2S5
Note: polymorphic with veenite
Locality: synthetic
_database_code_amcsd 0010119
11.355 19.783 4.042 90 90 90 Pbnm
atom     x     y   z occ  Uiso
SbM1 .3757 .3715 .25     .0182
SbM2 .7022 .4758 .25  .9 .0326
PbM2 .7022 .4758 .25  .1 .0326
SbM3 .9983 .4008 .75 .32 .0288
PbM3 .9983 .4008 .75 .68 .0288
SbM4 .6678 .2914 .75 .34 .0407
PbM4 .6678 .2914 .75 .66 .0407
S1   .4950 .2670 .25     .0189
S2   .8183 .3685 .25     .0187
S3   .8690 .5212 .75     .0210
S4   .5659 .4221 .75     .0250
S5   .2495 .3288 .75     .0304
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CaMnBr4.8H2O
 
Duhlev R, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=538
Acta Crystallographica C46 (1990) 538-541
Structure of calcium manganese(II) tetrabromide octahydrate
_database_code_amcsd 0010121
9.062 9.582 9.405 90 112.96 90 C2/m
atom      x     y      z occ  Uiso
Br1   .4739     0  .2026     .0370
Br2      .5 .2811     .5     .0368
Mn       .5     0     .5     .0262
Ca    .1057     0  .0671  .5 .0281
O1    .2394     0  .4149     .0325
O2    .2010     0 -.1275  .5 .1901
O3    .1800 .2285  .1705  .5 .0470
O4   -.0877 .1625 -.1172  .5 .0562
O5   -.1202     0  .1578  .5 .0677
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Pb4Sb4Se10
 
Skowron A, Brown I D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2287
Acta Crystallographica C46 (1990) 2287-2291
Structure of antimony lead selenide, Pb4Sb4Se10,
a selenium analogue of cosalite
_database_code_amcsd 0010214
24.591 19.757 4.166 90 90 90 Pnam
atom       x     y   z occ Uiso
SbM1   .4359 .5389 .75 .82 .027
PbM1   .4359 .5389 .75 .18 .027
PbM2   .2954 .3910 .75     .033
PbM3   .1273 .2976 .75     .031
SbM4   .0434 .7710 .25 .32 .021
PbM4   .0434 .7710 .25 .68 .021
SbM5   .1741 .6872 .75 .88 .023
PbM5   .1741 .6872 .75 .12 .023
SbM6   .0099 .5912 .75  .6 .028
PbM6   .0099 .5912 .75  .4 .028
SbM7   .1560 .4841 .25 .88 .024
PbM7   .1560 .4841 .25 .12 .024
SbM8   .3034 .5929 .25 .92 .022
PbM8   .3034 .5929 .25 .08 .022
Se1    .3641 .6548 .75     .036
Se2    .2310 .5296 .75     .022
Se3    .0821 .4380 .75     .018
Se4    .0855 .6275 .25     .021
Se5    .1249 .8069 .75     .024
Se6    .0346 .2833 .25     .026
Se7    .2043 .3628 .25     .029
Se8    .3614 .4774 .25     .026
Se9    .5002 .5886 .25     .026
Se10   .2390 .7289 .25     .034
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Total number of retrieved datasets: 6
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