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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd10hk1a |
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_database_code_amcsd 0008998 |
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9.8672 9.0469 5.2584 90 104.794 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30034 .25 .01223 .01026 .00927 0 .00011 0 |
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FeM1 0 .90742 .25 .00847 .00832 .00774 0 .00122 0 |
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Si .28782 .09250 .23271 .00685 .00779 .00650 -.00032 .00137 -.00033 |
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O1 .11941 .09020 .15227 .00705 .01168 .00877 .00003 .00115 .00003 |
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O2 .36288 .24625 .32396 .01347 .00860 .01159 -.00281 .00259 -.00104 |
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O3 .35027 .01981 .99298 .00967 .01276 .00794 -.00055 .00247 -.00260 |
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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd8b41a |
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_database_code_amcsd 0008999 |
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9.8605 9.0304 5.2690 90 105.138 90 C2/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30041 .25 .01256 .00984 .00939 0 .00040 0 |
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ZnM1 0 .90678 .25 .21074 .00829 .00837 .00765 0 .00148 0 |
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FeM1 0 .90678 .25 .78926 .00829 .00837 .00765 0 .00148 0 |
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Si .28740 .09254 .23154 .00657 .00760 .00657 -.00015 .00162 -.00036 |
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O1 .11852 .08959 .14970 .00735 .01107 .00897 .00040 .00174 .00039 |
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O2 .36186 .24688 .32321 .01315 .00954 .01101 -.00279 .00283 -.00104 |
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O3 .35024 .01947 .99333 .00877 .01272 .00868 -.00057 .00221 -.00315 |
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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd7gb21 |
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_database_code_amcsd 0009000 |
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9.8502 9.0294 5.2584 90 105.052 90 C2/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30011 .25 .01081 .00853 .00734 0 .00030 0 |
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ZnM1 0 .90676 .25 .16518 .00639 .00583 .00560 0 .00091 0 |
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FeM1 0 .90676 .25 .83482 .00639 .00583 .00560 0 .00091 0 |
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Si .28753 .09231 .23216 .00491 .00557 .00458 -.00008 .00112 -.00025 |
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O1 .11884 .08931 .15016 .00525 .00945 .00728 .00004 .00105 -.00025 |
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O2 .36196 .24713 .32272 .01248 .00605 .00941 -.00279 .00220 -.00102 |
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O3 .34997 .01949 .99382 .00723 .01045 .00649 -.00076 .00271 -.00356 |
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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd4gb31 |
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_database_code_amcsd 0009001 |
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9.8447 9.0175 5.2614 90 105.342 90 C2/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30028 .25 .01205 .00861 .00856 0 .00059 0 |
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ZnM1 0 .90626 .25 .49610 .00813 .00739 .00706 0 .00185 0 |
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FeM1 0 .90626 .25 .50380 .00813 .00739 .00706 0 .00185 0 |
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Si .28698 .09254 .23096 .00656 .00648 .00619 .00009 .00202 -.00020 |
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O1 .11790 .08924 .14787 .00669 .00933 .00838 -.00003 .00173 .00045 |
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O2 .36135 .24721 .32224 .01223 .00699 .01064 -.00297 .00273 -.00072 |
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O3 .35023 .01935 .99344 .00865 .01046 .00805 -.00060 .00340 -.00263 |
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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd3gb31 |
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_database_code_amcsd 0009002 |
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9.8369 9.0043 5.2605 90 105.435 90 C2/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30010 .25 .01122 .00797 .00753 0 .00041 0 |
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ZnM1 0 .90608 .25 .58678 .00730 .00733 .00576 0 .00151 0 |
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FeM1 0 .90608 .25 .41322 .00730 .00733 .00576 0 .00151 0 |
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Si .28691 .09250 .23055 .00538 .00571 .00495 .00023 .00159 .00012 |
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O1 .11724 .08901 .14690 .00572 .00965 .00709 .00013 .00170 .00054 |
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O2 .36128 .24775 .32200 .01158 .00780 .00866 -.00230 .00245 -.00102 |
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O3 .35015 .01897 .99320 .00789 .01024 .00663 -.00008 .00306 -.00253 |
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Petedunnite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: pd9_1b |
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_database_code_amcsd 0009003 |
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9.8243 8.9939 5.2608 90 105.794 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM2 0 .30002 .25 .01122 .00946 .00867 0 -.00002 0 |
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ZnM1 0 .90578 .25 .00806 .00874 .00762 0 .00132 0 |
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Si .28641 .09253 .22926 .00549 .00702 .00656 -.00003 .00125 -.00019 |
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O1 .11631 .08909 .14432 .00532 .00993 .00717 .00041 .00029 .00105 |
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O2 .36023 .24824 .32158 .01013 .00828 .01002 -.00251 .00135 -.00069 |
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O3 .34991 .01895 .99359 .00762 .01077 .00798 -.00052 .00173 -.00215 |
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Cu4Bi4S9 |
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Bente K, Kupcik V |
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Acta Crystallographica C40 (1984) 1985-1986 |
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Redetermination and refinement of the structure of |
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tetrabismuth tetracopper enneasulphide Cu4Bi4S9 |
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Locality: Synthetic |
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_database_code_amcsd 0018395 |
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31.68 11.659 3.972 90 90 90 Pbnm |
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atom x y z occ Biso |
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Cul .1353 .3833 .75 1.33 |
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Cu2 .1912 .3360 .25 2.13 |
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Cu3 .3048 .4245 .25 2.48 |
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Cu4 .4808 .3634 .25 .5 3.2 |
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Cu5 .4834 .4136 .25 .5 .8 |
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Bil .0278 .3670 .75 .98 1.22 |
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Bi2 .0903 .0987 .25 .98 1.41 |
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Bi3 .2786 .1385 .25 .98 1.20 |
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Bi4 .3908 .2324 .75 .98 1.09 |
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S1 .0206 .1313 .75 .9 |
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S2 .0987 .3244 .25 .9 |
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S3 .1542 .0931 .75 .7 |
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S4 .1922 .2410 .75 .8 |
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S5 .2357 .4852 .25 .8 |
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S6 .3150 .3169 .75 .8 |
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S7 .3570 .0773 .25 .6 |
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S8 .4113 .3895 .25 .8 |
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S9 .4700 .1202 .25 .9 |
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Muckeite |
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Bente K, Doering T, Edenharter A, Kupcik V, Steins M, Wendschuh-Josties M |
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Acta Crystallographica C46 (1990) 127-128 |
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Structure of the new mineral muckeite, BiCuNiS3 |
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_database_code_amcsd 0010090 |
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7.514 12.557 4.8880 90 90 90 P2_12_12_1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb .37685 .13292 .93528 .1 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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Bi .37685 .13292 .93528 .9 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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CuM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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NiM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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CuM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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NiM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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S1 .1289 .40728 .7166 1.9 .00917 .00241 .0217 -.00035 -.0043 -.00011 |
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S2 .37848 .29743 .2816 1.8 .00731 .00298 .0202 -.00027 .0003 .00036 |
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S3 .1262 .09262 .2901 1.9 .00903 .00229 .0220 -.00026 .0050 -.00049 |
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Berthierite |
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Bente K, Edenharter A |
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Zeitschrift fur Kristallographie 185 (1989) 31-33 |
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Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung |
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von berthierit, FeSb2S4 |
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_database_code_amcsd 0010987 |
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11.423 14.174 3.765 90 90 90 Pnam |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .3171 .3352 .25 .0023 .00141 .0231 .0001 0 0 |
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Sb1 .1447 .0629 .25 .0032 .00178 .0237 -.0001 0 0 |
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Sb2 .0388 .3856 .75 .0024 .00167 .0231 -.0001 0 0 |
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S1 .1955 .2703 .75 .0022 .00163 .0187 .0001 0 0 |
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S2 .4216 .1841 .25 .0025 .00189 .0162 .0001 0 0 |
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S3 .2235 .4944 .25 .0019 .00168 .0214 .0000 0 0 |
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S4 .4503 .4043 .75 .0023 .00129 .0215 -.0001 0 0 |
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Clerite |
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Bente K, Edenharter A |
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Zeitschrift fur Kristallographie 185 (1989) 31-33 |
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Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung |
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von berthierit, FeSb2S4 |
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_database_code_amcsd 0010988 |
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11.459 14.351 3.823 90 90 90 Pnam |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn .3160 .3330 .25 .0024 .0014 .0218 .0001 0 0 |
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Sb1 .1439 .0590 .25 .0031 .0016 .0233 .0001 0 0 |
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Sb2 .0411 .3859 .75 .0024 .0016 .0180 .00002 0 0 |
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S1 .1900 .2666 .75 .0021 .0015 .0247 .0002 0 0 |
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S2 .4217 .1777 .25 .0022 .0018 .0169 .0002 0 0 |
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S3 .2227 .4945 .25 .0021 .0013 .0163 .0001 0 0 |
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S4 .4548 .4048 .75 .0015 .0013 .0173 .0001 0 0 |
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Gustavite |
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Bente K, Engel M, Steins M |
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Zeitschrift fur Kristallographie 205 (1993) 327-328 |
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Crystal structure of lead silver tribismuth sulfide, PbAgBi3S6 |
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Locality: synthetic |
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Note: natural gustavite exhibits ordered Bi/Ag |
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_database_code_amcsd 0011039 |
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4.077 13.477 19.88 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb 0 .1835 .25 .025 .031 .070 0 0 0 |
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Ag2 .5 .4150 .3645 .5 .023 .030 .030 0 .003 0 |
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Bi2 .5 .4150 .3645 .5 .023 .030 .030 0 .003 0 |
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Bi1 .5 .1377 .0502 .0188 .0186 .022 0 .0008 0 |
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S1 0 0 0 .016 .026 .03 0 0 0 |
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S2 0 .2612 .0968 .023 .028 .030 0 -.011 0 |
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S3 .5 .327 .25 .029 .012 .05 0 0 0 |
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S4 .5 .0450 .1659 .018 .026 .024 0 -.001 0 |
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Boulangerite |
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Bente K, Meier-Salimi M |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 212-216 |
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Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites |
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- a contribution to the rayite problem |
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Locality: synthetic |
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_database_code_amcsd 0018398 |
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21.285 23.525 4.019 90 90 90 Pbnm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .3819 -.0021 .25 3.74 .002765 .001251 .053063 .000178 0 0 |
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Pb2 .3062 .1601 .25 2.86 .001542 .001274 .049564 -.000117 0 0 |
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Pb3 .2079 .3230 .25 3.00 .001472 .001418 .049621 .000078 0 0 |
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Sb4 .4581 .4322 .75 .512 3.77 .002152 .001485 .063815 .000152 0 0 |
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Pb4 .4581 .4322 .75 .468 3.77 .002152 .001485 .063815 .000152 0 0 |
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Pb5 .1314 .0977 .75 .592 3.67 .001747 .001749 .061631 -.000178 0 0 |
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Sb5 .1314 .0977 .75 .401 3.67 .001747 .001749 .061631 -.000178 0 0 |
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Sb6 .0500 .2326 .25 .557 3.51 .002704 .001503 .082283 -.000148 0 0 |
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Pb6 .0500 .2326 .25 .428 3.51 .002704 .001503 .082283 -.000148 0 0 |
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Sb7 .4851 .1287 .75 .649 3.38 .001411 .001656 .060572 .000134 0 0 |
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Pb7 .4851 .1287 .75 .331 3.38 .001411 .001656 .060572 .000134 0 0 |
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Sb8 .3892 .2886 .75 .526 3.80 .000325 .002311 .088391 .000456 0 0 |
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Sb81 .3744 .3024 .75 .516 3.48 .00563 .001980 .077815 -.000137 0 0 |
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Sb9 .2889 .4625 .75 3.88 .001436 .001842 .076827 -.000403 0 0 |
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S1 .070 .017 .25 2.92 .001217 .001196 .60407 .000250 0 0 |
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S2 .187 .414 .75 2.83 .000936 .000885 .075052 .000288 0 0 |
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S3 .247 .029 .25 4.15 .001042 .001112 .125458 -.000108 0 0 |
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S4 .096 .295 .75 6.94 .001030 .001054 .257359 .000082 0 0 |
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S5 .156 .174 .25 4.89 .000619 .001333 .163814 -.000081 0 0 |
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S6 .333 .373 .25 4.38 .001048 .001515 .122034 .000047 0 0 |
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S7 .419 .218 .25 3.59 .000915 .001310 .096277 -.000135 0 0 |
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S8 .013 .441 .75 5.74 .000925 .001301 .196114 -.000184 0 0 |
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S9 .372 .088 .75 2.94 .001390 .001238 .055162 .000193 0 0 |
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S10 .279 .250 .75 3.31 .001031 .001270 .081192 .000122 0 0 |
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S11 .014 .136 .75 2.95 .001253 .001509 .050317 -.000018 0 0 |
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|
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|
| |
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