American Mineralogist Crystal Structure Database

13 matching records for this search.

Boulangerite
Download hom/boulangerite.pdf
Kaden R, Wagner G, Bente K
 
The Canadian Mineralogist 50 (2012) 219-233
Crystal chemistry and electrical conductivity of boulangerite, dadsonite and
iodine-substituted pillaite grown by chemical vapor transport
Locality: synthetic
_database_code_amcsd 0019740
21.554 23.454 8.079 90 100.76 90 P2_1/a
atom        x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbA1   .12228 .49872 .94540       .0228  .0302  .0160  .0233 -.0029  .0081 -.0030
PbA2   .30804 .15950 .02589      .01893  .0192  .0181  .0202 -.0013  .0057  .0011
PbA3   .20558 .32436 .97843       .0205  .0206  .0185  .0231  .0018  .0062  .0006
SbA4   .46610 .43755  .3338       .0215  .0200  .0153  .0291 -.0024  .0042 -.0018
PbA5A  .13286 .09657  .2035 .695  .0225
SbA5B   .1285  .1030   .200 .305  .0225
SbA6   .37145 .30864  .3090       .0164  .0172  .0124  .0195  .0001  .0032  .0016
SbA7   .05948 .23021  .8996       .0263  .0187  .0188  .0435  .0025  .0110  .0135
SbA8   .48592 .12122  .3615       .0148  .0200  .0084  .0173 -.0010  .0071 -.0009
SbA9   .29219 .45695  .2789       .0220  .0155  .0181  .0320  .0001  .0033 -.0006
PbA1'  .11178 .49911 .42704       .0245  .0372  .0151  .0228 -.0020  .0092  .0000
PbA2'  .30543 .15990 .52952      .01987  .0218  .0176  .0211 -.0015  .0062 -.0001
PbA3'  .20703 .32108  .4782       .0239  .0212  .0260  .0256  .0018  .0077  .0001
PbA4'  .45191 .42983 .84862       .0248  .0267  .0183  .0295  .0018  .0053  .0020
PbA5A' .13455 .09449  .6919 .464  .0239
SbA5B'  .1262  .1049  .6779 .536  .0239
SbA6'  .38703 .28390  .8181       .0158  .0194  .0102  .0184 -.0026  .0049  .0004
PbA7'  .03872 .23296  .3978       .0268  .0276  .0159  .0359 -.0023  .0032 -.0011
PbA8'  .48697 .13465 .86647      .01921  .0231  .0122  .0231  .0007  .0061 -.0004
SbA9'  .28390 .46674  .7692       .0174  .0155  .0171  .0206  .0012  .0061 -.0002
S1      .0656  .0142  .8986       .0189   .014   .020   .024  .0007   .005   .001
S2      .1866  .4165  .2198       .0159   .015   .013   .020 -.0022   .005  -.002
S3      .2481  .0287  .0143       .0193   .022   .013   .025  -.001   .008   .005
S4      .0968  .2940  .1548       .0241   .017   .024   .033  -.009   .007  -.003
S5      .1569  .1729  .9512       .0253   .022   .010   .045  .0034   .010  -.001
S6      .3338  .3747  .0649       .0195   .022   .015   .022   .000   .006   .005
S7      .4180  .2218  .0690       .0155   .018   .013   .016 -.0028   .004   .003
S8      .0149  .4450  .1533       .0192   .018   .013   .029 -.0044   .010  -.001
S9      .3744  .0923  .3099       .0153   .012   .018   .015  .0025   .002   .000
S10     .2766  .2494  .2666       .0144   .019   .011   .016 -.0012   .009  -.002
S11     .0118  .1348  .1411       .0166   .021  .0107   .021  .0036   .011   .003
S1'     .0712  .0182  .4172       .0163   .017   .016   .016  .0042   .003   .005
S2'     .1866  .4120  .7164       .0166   .020   .015   .017  .0002   .007   .001
S3'     .2448  .0285  .4793       .0184   .016   .018   .021   .000   .003  -.004
S4'     .0951  .2938  .6960       .0215   .026   .015   .024  -.009   .006   .006
S5'     .1549  .1759  .4548       .0235   .012   .019   .041  .0046   .009  -.008
S6'     .3287  .3740  .5159       .0153   .020   .013   .015  .0009   .008  -.003
S7'     .4198  .2192  .6047       .0172   .017   .020   .017  -.001   .007  -.002
S8'     .0125  .4385  .6096       .0146   .019   .015   .011 -.0018   .004   .000
S9'     .3676  .0847  .8122       .0161   .020   .009   .020  .0045   .008   .001
S10'    .2769  .2510  .7614       .0155   .020   .014   .015  .0017   .008   .001
S11'    .0172  .1389  .6306       .0197   .018   .018   .025   .004   .008   .004
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Hedenbergite
Download hom/hedenbergite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd10hk1a
_database_code_amcsd 0008998
9.8672 9.0469 5.2584 90 104.794 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30034    .25 .01223 .01026 .00927       0 .00011       0
FeM1      0 .90742    .25 .00847 .00832 .00774       0 .00122       0
Si   .28782 .09250 .23271 .00685 .00779 .00650 -.00032 .00137 -.00033
O1   .11941 .09020 .15227 .00705 .01168 .00877  .00003 .00115  .00003
O2   .36288 .24625 .32396 .01347 .00860 .01159 -.00281 .00259 -.00104
O3   .35027 .01981 .99298 .00967 .01276 .00794 -.00055 .00247 -.00260
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Hedenbergite
Download hom/hedenbergite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd8b41a
_database_code_amcsd 0008999
9.8605 9.0304 5.2690 90 105.138 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30041    .25        .01256 .00984 .00939       0 .00040       0
ZnM1      0 .90678    .25 .21074 .00829 .00837 .00765       0 .00148       0
FeM1      0 .90678    .25 .78926 .00829 .00837 .00765       0 .00148       0
Si   .28740 .09254 .23154        .00657 .00760 .00657 -.00015 .00162 -.00036
O1   .11852 .08959 .14970        .00735 .01107 .00897  .00040 .00174  .00039
O2   .36186 .24688 .32321        .01315 .00954 .01101 -.00279 .00283 -.00104
O3   .35024 .01947 .99333        .00877 .01272 .00868 -.00057 .00221 -.00315
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Hedenbergite
Download hom/hedenbergite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd7gb21
_database_code_amcsd 0009000
9.8502 9.0294 5.2584 90 105.052 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30011    .25        .01081 .00853 .00734       0 .00030       0
ZnM1      0 .90676    .25 .16518 .00639 .00583 .00560       0 .00091       0
FeM1      0 .90676    .25 .83482 .00639 .00583 .00560       0 .00091       0
Si   .28753 .09231 .23216        .00491 .00557 .00458 -.00008 .00112 -.00025
O1   .11884 .08931 .15016        .00525 .00945 .00728  .00004 .00105 -.00025
O2   .36196 .24713 .32272        .01248 .00605 .00941 -.00279 .00220 -.00102
O3   .34997 .01949 .99382        .00723 .01045 .00649 -.00076 .00271 -.00356
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Hedenbergite
Download hom/hedenbergite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd4gb31
_database_code_amcsd 0009001
9.8447 9.0175 5.2614 90 105.342 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30028    .25        .01205 .00861 .00856       0 .00059       0
ZnM1      0 .90626    .25 .49610 .00813 .00739 .00706       0 .00185       0
FeM1      0 .90626    .25 .50380 .00813 .00739 .00706       0 .00185       0
Si   .28698 .09254 .23096        .00656 .00648 .00619  .00009 .00202 -.00020
O1   .11790 .08924 .14787        .00669 .00933 .00838 -.00003 .00173  .00045
O2   .36135 .24721 .32224        .01223 .00699 .01064 -.00297 .00273 -.00072
O3   .35023 .01935 .99344        .00865 .01046 .00805 -.00060 .00340 -.00263
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Hedenbergite
Download hom/hedenbergite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd3gb31
_database_code_amcsd 0009002
9.8369 9.0043 5.2605 90 105.435 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30010    .25        .01122 .00797 .00753       0 .00041       0
ZnM1      0 .90608    .25 .58678 .00730 .00733 .00576       0 .00151       0
FeM1      0 .90608    .25 .41322 .00730 .00733 .00576       0 .00151       0
Si   .28691 .09250 .23055        .00538 .00571 .00495  .00023 .00159  .00012
O1   .11724 .08901 .14690        .00572 .00965 .00709  .00013 .00170  .00054
O2   .36128 .24775 .32200        .01158 .00780 .00866 -.00230 .00245 -.00102
O3   .35015 .01897 .99320        .00789 .01024 .00663 -.00008 .00306 -.00253
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Petedunnite
Download hom/petedunnite.pdf
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: pd9_1b
_database_code_amcsd 0009003
9.8243 8.9939 5.2608 90 105.794 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaM2      0 .30002    .25 .01122 .00946 .00867       0 -.00002       0
ZnM1      0 .90578    .25 .00806 .00874 .00762       0  .00132       0
Si   .28641 .09253 .22926 .00549 .00702 .00656 -.00003  .00125 -.00019
O1   .11631 .08909 .14432 .00532 .00993 .00717  .00041  .00029  .00105
O2   .36023 .24824 .32158 .01013 .00828 .01002 -.00251  .00135 -.00069
O3   .34991 .01895 .99359 .00762 .01077 .00798 -.00052  .00173 -.00215
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Cu4Bi4S9
 
Bente K, Kupcik V
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=1985
Acta Crystallographica C40 (1984) 1985-1986
Redetermination and refinement of the structure of
tetrabismuth tetracopper enneasulphide Cu4Bi4S9
Locality: Synthetic
_database_code_amcsd 0018395
31.68 11.659 3.972 90 90 90 Pbnm
atom     x     y   z occ Biso
Cul  .1353 .3833 .75     1.33
Cu2  .1912 .3360 .25     2.13
Cu3  .3048 .4245 .25     2.48
Cu4  .4808 .3634 .25  .5  3.2
Cu5  .4834 .4136 .25  .5   .8
Bil  .0278 .3670 .75 .98 1.22
Bi2  .0903 .0987 .25 .98 1.41
Bi3  .2786 .1385 .25 .98 1.20
Bi4  .3908 .2324 .75 .98 1.09
S1   .0206 .1313 .75       .9
S2   .0987 .3244 .25       .9
S3   .1542 .0931 .75       .7
S4   .1922 .2410 .75       .8
S5   .2357 .4852 .25       .8
S6   .3150 .3169 .75       .8
S7   .3570 .0773 .25       .6
S8   .4113 .3895 .25       .8
S9   .4700 .1202 .25       .9
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Muckeite
Download hom/muckeite.pdf
Bente K, Doering T, Edenharter A, Kupcik V, Steins M, Wendschuh-Josties M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=127
Acta Crystallographica C46 (1990) 127-128
Structure of the new mineral muckeite, BiCuNiS3
_database_code_amcsd 0010090
7.514 12.557 4.8880 90 90 90 P2_12_12_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)
Sb   .37685 .13292 .93528  .1  1.8 .00882 .00266 .01825  .00017  .00008 -.00016
Bi   .37685 .13292 .93528  .9  1.8 .00882 .00266 .01825  .00017  .00008 -.00016
CuM1 .38250 .43787 .97540  .5  2.3 .01014 .00329 .02693  .00035 -.00031  .00032
NiM1 .38250 .43787 .97540  .5  2.3 .01014 .00329 .02693  .00035 -.00031  .00032
CuM2 .12824 .25020 .50418  .5  1.6 .00767 .00232 .01695 -.00028  .00092  .00007
NiM2 .12824 .25020 .50418  .5  1.6 .00767 .00232 .01695 -.00028  .00092  .00007
S1    .1289 .40728  .7166      1.9 .00917 .00241  .0217 -.00035  -.0043 -.00011
S2   .37848 .29743  .2816      1.8 .00731 .00298  .0202 -.00027   .0003  .00036
S3    .1262 .09262  .2901      1.9 .00903 .00229  .0220 -.00026   .0050 -.00049
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Berthierite
Download hom/berthierite.pdf
Bente K, Edenharter A
Download zk/vol185/ZK185_31.pdf
Zeitschrift fur Kristallographie 185 (1989) 31-33
Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung
von berthierit, FeSb2S4
_database_code_amcsd 0010987
11.423 14.174 3.765 90 90 90 Pnam
atom     x     y   z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   .3171 .3352 .25  .0023 .00141  .0231  .0001      0      0
Sb1  .1447 .0629 .25  .0032 .00178  .0237 -.0001      0      0
Sb2  .0388 .3856 .75  .0024 .00167  .0231 -.0001      0      0
S1   .1955 .2703 .75  .0022 .00163  .0187  .0001      0      0
S2   .4216 .1841 .25  .0025 .00189  .0162  .0001      0      0
S3   .2235 .4944 .25  .0019 .00168  .0214  .0000      0      0
S4   .4503 .4043 .75  .0023 .00129  .0215 -.0001      0      0
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Clerite
Download hom/clerite.pdf
Bente K, Edenharter A
Download zk/vol185/ZK185_31.pdf
Zeitschrift fur Kristallographie 185 (1989) 31-33
Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung
von berthierit, FeSb2S4
_database_code_amcsd 0010988
11.459 14.351 3.823 90 90 90 Pnam
atom     x     y   z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mn   .3160 .3330 .25  .0024  .0014  .0218  .0001      0      0
Sb1  .1439 .0590 .25  .0031  .0016  .0233  .0001      0      0
Sb2  .0411 .3859 .75  .0024  .0016  .0180 .00002      0      0
S1   .1900 .2666 .75  .0021  .0015  .0247  .0002      0      0
S2   .4217 .1777 .25  .0022  .0018  .0169  .0002      0      0
S3   .2227 .4945 .25  .0021  .0013  .0163  .0001      0      0
S4   .4548 .4048 .75  .0015  .0013  .0173  .0001      0      0
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Gustavite
Download hom/gustavite.pdf
Bente K, Engel M, Steins M
Download zk/vol205/ZK205_327.pdf
Zeitschrift fur Kristallographie 205 (1993) 327-328
Crystal structure of lead silver tribismuth sulfide, PbAgBi3S6
Locality: synthetic
Note: natural gustavite exhibits ordered Bi/Ag
_database_code_amcsd 0011039
4.077 13.477 19.88 90 90 90 Cmcm
atom  x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    0 .1835   .25       .025   .031   .070      0      0      0
Ag2  .5 .4150 .3645  .5   .023   .030   .030      0   .003      0
Bi2  .5 .4150 .3645  .5   .023   .030   .030      0   .003      0
Bi1  .5 .1377 .0502      .0188  .0186   .022      0  .0008      0
S1    0     0     0       .016   .026    .03      0      0      0
S2    0 .2612 .0968       .023   .028   .030      0  -.011      0
S3   .5  .327   .25       .029   .012    .05      0      0      0
S4   .5 .0450 .1659       .018   .026   .024      0  -.001      0
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Boulangerite
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Bente K, Meier-Salimi M
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 212-216
Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites
- a contribution to the rayite problem
Locality: synthetic
_database_code_amcsd 0018398
21.285 23.525 4.019 90 90 90 Pbnm
atom     x      y   z  occ Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2) B(1,3) B(2,3)
Pb1  .3819 -.0021 .25      3.74 .002765 .001251 .053063  .000178      0      0
Pb2  .3062  .1601 .25      2.86 .001542 .001274 .049564 -.000117      0      0
Pb3  .2079  .3230 .25      3.00 .001472 .001418 .049621  .000078      0      0
Sb4  .4581  .4322 .75 .512 3.77 .002152 .001485 .063815  .000152      0      0
Pb4  .4581  .4322 .75 .468 3.77 .002152 .001485 .063815  .000152      0      0
Pb5  .1314  .0977 .75 .592 3.67 .001747 .001749 .061631 -.000178      0      0
Sb5  .1314  .0977 .75 .401 3.67 .001747 .001749 .061631 -.000178      0      0
Sb6  .0500  .2326 .25 .557 3.51 .002704 .001503 .082283 -.000148      0      0
Pb6  .0500  .2326 .25 .428 3.51 .002704 .001503 .082283 -.000148      0      0
Sb7  .4851  .1287 .75 .649 3.38 .001411 .001656 .060572  .000134      0      0
Pb7  .4851  .1287 .75 .331 3.38 .001411 .001656 .060572  .000134      0      0
Sb8  .3892  .2886 .75 .526 3.80 .000325 .002311 .088391  .000456      0      0
Sb81 .3744  .3024 .75 .516 3.48  .00563 .001980 .077815 -.000137      0      0
Sb9  .2889  .4625 .75      3.88 .001436 .001842 .076827 -.000403      0      0
S1    .070   .017 .25      2.92 .001217 .001196  .60407  .000250      0      0
S2    .187   .414 .75      2.83 .000936 .000885 .075052  .000288      0      0
S3    .247   .029 .25      4.15 .001042 .001112 .125458 -.000108      0      0
S4    .096   .295 .75      6.94 .001030 .001054 .257359  .000082      0      0
S5    .156   .174 .25      4.89 .000619 .001333 .163814 -.000081      0      0
S6    .333   .373 .25      4.38 .001048 .001515 .122034  .000047      0      0
S7    .419   .218 .25      3.59 .000915 .001310 .096277 -.000135      0      0
S8    .013   .441 .75      5.74 .000925 .001301 .196114 -.000184      0      0
S9    .372   .088 .75      2.94 .001390 .001238 .055162  .000193      0      0
S10   .279   .250 .75      3.31 .001031 .001270 .081192  .000122      0      0
S11   .014   .136 .75      2.95 .001253 .001509 .050317 -.000018      0      0
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Total number of retrieved datasets: 13
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