|
Stibnite |
 |
Kyono A, Kimata M |
 |
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
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in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
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Sample #1 |
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_database_code_amcsd 0003549 |
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11.282 3.8296 11.225 90 90 90 Pnma |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47063 .25 .32602 1.22 .0193 .0106 .0164 0 -.0017 0 |
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Sb2 .35061 .75 .03603 1.53 .0181 .0169 .0230 0 .0044 0 |
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S1 .2922 .25 .1918 1.16 .0158 .0146 .0135 0 .0009 0 |
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S2 .5496 .75 .1231 1.20 .0165 .0126 .0166 0 .0016 0 |
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S3 .3748 .75 .4388 1.24 .0219 .0114 .0137 0 -.0028 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample #2 |
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_database_code_amcsd 0003550 |
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11.311 3.8389 11.223 90 90 90 Pnma |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47061 .25 .32595 1.449 .0216 .0147 .0187 0 .0017 0 |
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Sb2 .35059 .75 .03602 1.755 .0210 .0208 .0249 0 -.0043 0 |
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S1 .29214 .25 .19181 1.39 .0204 .0169 .0155 0 -.0011 0 |
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S2 .5498 .75 .1230 1.46 .0209 .0158 .0186 0 -.0023 0 |
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S3 .3751 .75 .4389 1.45 .0228 .0161 .0162 0 .0031 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample #3 |
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_database_code_amcsd 0003551 |
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11.2845 3.8220 11.203 90 90 90 Pnma |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47058 .25 .32599 1.53 .0230 .0173 .0179 0 .0018 0 |
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Sb2 .35060 .75 .03600 1.82 .0226 .0230 .0236 0 -.0044 0 |
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S1 .2918 .25 .1919 1.49 .025 .018 .0137 0 -.0014 0 |
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S2 .5496 .75 .1229 1.56 .024 .017 .0184 0 -.0013 0 |
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S3 .3754 .75 .4389 1.50 .025 .017 .0146 0 .0022 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample #4 |
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_database_code_amcsd 0003552 |
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11.3197 3.8332 11.2330 90 90 90 Pnma |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47065 .25 .32599 1.279 .0181 .0133 .0172 0 .00181 0 |
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Sb2 .35054 .75 .03603 1.587 .0166 .0197 .0240 0 -.00447 0 |
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S1 .29215 .25 .19193 1.27 .0168 .0172 .0144 0 -.0011 0 |
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S2 .54969 .75 .12291 1.27 .0157 .0156 .0169 0 -.0015 0 |
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S3 .37495 .75 .43873 1.28 .0200 .0144 .0143 0 .0024 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
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Sample: Sb1.935Bi.065S3 |
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_database_code_amcsd 0003553 |
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11.3122 3.8428 11.221 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47149 .25 .32601 .964 1.406 .0207 .0148 .0180 0 -.0017 0 |
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Bi1 .47149 .25 .32601 .036 1.406 .0207 .0148 .0180 0 -.0017 0 |
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Sb2 .34992 .75 .03608 .972 1.728 .0190 .0216 .0251 0 .0043 0 |
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Bi2 .34992 .75 .03608 .028 1.728 .0190 .0216 .0251 0 .0043 0 |
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S1 .2918 .25 .1919 1.35 .0193 .0173 .0148 0 .0010 0 |
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S2 .5496 .75 .1231 1.32 .0167 .0159 .0176 0 .0018 0 |
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S3 .3751 .75 .4388 1.32 .0200 .0156 .0147 0 -.0018 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample: Sb1.637Bi.363S3 |
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_database_code_amcsd 0003554 |
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11.274 3.8739 11.160 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47560 .25 .32610 .796 2.11 .0244 .0269 .0288 0 .0012 0 |
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Bi1 .47560 .25 .32610 .204 2.11 .0244 .0269 .0288 0 .0012 0 |
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Sb2 .34720 .75 .03520 .840 2.30 .0188 .0322 .0365 0 -.0021 0 |
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Bi2 .34720 .75 .03520 .160 2.30 .0188 .0322 .0365 0 -.0021 0 |
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S1 .2898 .25 .1925 2.07 .020 .027 .031 0 -.001 0 |
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S2 .5491 .75 .1252 2.28 .020 .037 .029 0 -.000 0 |
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S3 .3756 .75 .4396 2.33 .023 .035 .031 0 .002 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample: Sb1.483Bi.517S3 |
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_database_code_amcsd 0003555 |
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11.318 3.883 11.226 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47440 .25 .32590 .698 2.48 .0270 .0283 .0390 0 .0020 0 |
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Bi1 .47440 .25 .32590 .302 2.48 .0270 .0283 .0390 0 .0020 0 |
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Sb2 .34790 .75 .03550 .786 2.55 .0202 .0325 .044 0 -.0028 0 |
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Bi2 .34790 .75 .03550 .214 2.55 .0202 .0325 .044 0 -.0028 0 |
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S1 .2913 .25 .1924 1.9 .013 .026 .033 0 -.001 0 |
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S2 .5492 .75 .1250 1.7 .013 .023 .028 0 -.003 0 |
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S3 .3754 .75 .4395 2.0 .020 .027 .031 0 .002 0 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample: Sb1.463Bi.537S3 |
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_database_code_amcsd 0003556 |
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11.309 3.871 11.1876 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47430 .25 .32630 .702 1.85 .0262 .0210 .0232 0 .0016 0 |
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Bi1 .47430 .25 .32630 .298 1.85 .0262 .0210 .0232 0 .0016 0 |
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Sb2 .34820 .75 .03520 .762 2.04 .0203 .0259 .0312 0 -.0028 0 |
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Bi2 .34820 .75 .03520 .238 2.04 .0203 .0259 .0312 0 -.0028 0 |
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S1 .2908 .25 .1926 1.40 .018 .018 .017 0 -.000 0 |
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S2 .5492 .75 .1237 1.41 .017 .017 .019 0 -.004 0 |
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S3 .3755 .75 .4395 1.44 .020 .019 .015 0 .002 0 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M |
|
American Mineralogist 89 (2004) 932-940 |
|
Structural variations induced by difference of the inert pair effect |
|
in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 |
|
Sample: Sb1.426Bi.574S3 |
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_database_code_amcsd 0003557 |
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11.318 3.8872 11.228 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .47530 .25 .32590 .684 2.00 .0345 .0196 .0219 0 -.0022 0 |
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Bi1 .47530 .25 .32590 .316 2.00 .0345 .0196 .0219 0 -.0022 0 |
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Sb2 .34720 .75 .03490 .743 2.16 .0289 .0244 .0286 0 .0027 0 |
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Bi2 .34720 .75 .03490 .257 2.16 .0289 .0244 .0286 0 .0027 0 |
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S1 .2907 .25 .1924 1.75 .028 .021 .017 0 .004 0 |
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S2 .5493 .75 .1243 1.85 .027 .023 .021 0 .002 0 |
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S3 .3754 .75 .4395 1.89 .028 .025 .019 0 -.005 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Stibnite |
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Kyono A, Kimata M, Matsuhisa M, Miyashita Y, Okamoto K |
| |
Physics and Chemistry of Minerals 29 (2002) 254-260 |
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Low-temperature crystal structures of stibnite implying orbital |
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overlap of Sb 5s2 inert pair electrons |
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Sample: T = 128 K |
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_database_code_amcsd 0008633 |
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11.292 3.828 11.205 90 90 90 Pnma |
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atom x y z Biso |
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Sb1 .47071 .25 .32575 .565 |
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Sb2 .35057 .75 .03533 .731 |
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S1 .2923 .25 .1914 .62 |
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S2 .5497 .75 .1226 .59 |
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S3 .3748 .75 .4387 .60 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M, Matsuhisa M, Miyashita Y, Okamoto K |
| |
Physics and Chemistry of Minerals 29 (2002) 254-260 |
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Low-temperature crystal structures of stibnite implying orbital |
|
overlap of Sb 5s2 inert pair electrons |
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Sample: T = 173 K |
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_database_code_amcsd 0008634 |
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11.299 3.828 11.214 90 90 90 Pnma |
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atom x y z Biso |
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Sb1 .47064 .25 .32581 .725 |
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Sb2 .35058 .75 .03553 .946 |
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S1 .2923 .25 .1916 .76 |
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S2 .5497 .75 .1228 .74 |
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S3 .3748 .75 .4388 .74 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M, Matsuhisa M, Miyashita Y, Okamoto K |
| |
Physics and Chemistry of Minerals 29 (2002) 254-260 |
|
Low-temperature crystal structures of stibnite implying orbital |
|
overlap of Sb 5s2 inert pair electrons |
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Sample: T = 225 K |
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_database_code_amcsd 0008635 |
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11.305 3.836 11.223 90 90 90 Pnma |
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atom x y z Biso |
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Sb1 .47062 .25 .32590 .903 |
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Sb2 .35053 .75 .03570 1.159 |
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S1 .29213 .25 .1918 .90 |
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S2 .54985 .75 .1230 .90 |
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S3 .3749 .75 .4387 .90 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Kyono A, Kimata M, Matsuhisa M, Miyashita Y, Okamoto K |
| |
Physics and Chemistry of Minerals 29 (2002) 254-260 |
|
Low-temperature crystal structures of stibnite implying orbital |
|
overlap of Sb 5s2 inert pair electrons |
|
Sample: T = 293 K |
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_database_code_amcsd 0008636 |
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11.314 3.837 11.234 90 90 90 Pnma |
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atom x y z Biso |
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Sb1 .47058 .25 .32598 1.26 |
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Sb2 .35058 .75 .03598 1.57 |
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S1 .2922 .25 .1919 1.21 |
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S2 .5498 .75 .1230 1.22 |
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S3 .3751 .75 .4388 1.24 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
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Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
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Physics and Chemistry of Minerals 30 (2003) 463-468 |
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Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
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Sample: Romania, P = 0.0001 GPa |
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_database_code_amcsd 0008825 |
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11.299 3.8313 11.227 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0290 .25 .6738 .0180 |
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Sb2 .3503 .25 .4641 .0218 |
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S1 .0493 .25 .1226 .0150 |
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S2 .3745 .25 .0612 .0152 |
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S3 .2077 .25 .8071 .0154 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 1.115 GPa |
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_database_code_amcsd 0008826 |
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11.098 3.8232 11.091 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0250 .25 .6740 .0146 |
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Sb2 .3468 .25 .4638 .0212 |
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S1 .0529 .25 .1236 .0102 |
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S2 .3767 .25 .0615 .0120 |
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S3 .2098 .25 .8068 .0164 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 1.591 GPa |
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_database_code_amcsd 0008827 |
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11.044 3.8124 11.043 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0242 .25 .6741 .0177 |
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Sb2 .3467 .25 .4636 .0157 |
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S1 .0515 .25 .1246 .0115 |
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S2 .3775 .25 .0612 .0140 |
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S3 .2123 .25 .8066 .0143 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 2.118 GPa |
|
_database_code_amcsd 0008828 |
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10.959 3.8060 10.983 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0223 .25 .6740 .0151 |
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Sb2 .3458 .25 .4636 .0121 |
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S1 .0506 .25 .1254 .0113 |
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S2 .3736 .25 .0607 .0130 |
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S3 .2113 .25 .8056 .0134 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 3.235 GPa |
|
_database_code_amcsd 0008829 |
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10.836 3.7919 10.884 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0193 .25 .6740 .0103 |
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Sb2 .3430 .25 .4634 .0160 |
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S1 .0526 .25 .1258 .0100 |
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S2 .3736 .25 .0605 .0121 |
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S3 .2152 .25 .8037 .0131 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 7.406 GPa |
|
_database_code_amcsd 0008830 |
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10.529 3.7458 10.604 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0119 .25 .6735 .0154 |
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Sb2 .3389 .25 .4632 .0175 |
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S1 .0510 .25 .1270 .0068 |
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S2 .3709 .25 .0606 .0140 |
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S3 .2208 .25 .7994 .0125 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 7.832 GPa |
|
_database_code_amcsd 0008831 |
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10.508 3.7409 10.579 90 90 90 Pnma |
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atom x y z Uiso |
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Sb1 .0120 .25 .6734 .0159 |
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Sb2 .3376 .25 .4631 .0167 |
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S1 .0524 .25 .1271 .0108 |
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S2 .3715 .25 .0601 .0125 |
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S3 .2185 .25 .7992 .0129 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Caracas R, Gonze X |
| |
Physics and Chemistry of Minerals 32 (2005) 295-300 |
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First-principles study of the electronic properties of A2B3 minerals, |
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with A=Bi,Sb and B=S,Se |
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Note: Hypothetical sulphosalt structure derived from density functional theory |
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_database_code_amcsd 0008966 |
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11.311 3.836 11.229 90 90 90 Pnma |
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atom x y z |
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Sb1 .5293 .25 .1739 |
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Sb2 .6495 .75 .4640 |
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S1 .6251 .75 .0614 |
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S2 .7079 .25 .3083 |
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S3 .4503 .75 .3769 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
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Hofmann W |
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Zeitschrift fur Kristallographie 86 (1933) 225-245 |
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Die struktur der minerale der animonitgruppe |
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_database_code_amcsd 0010513 |
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11.20 11.28 3.83 90 90 90 Pbnm |
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atom x y z |
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Sb1 .328 .031 .25 |
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Sb2 .039 .149 .75 |
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S1 .883 .047 .25 |
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S2 .439 .125 .75 |
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S3 .194 .208 .25 |
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|
| Download AMC data (View Text File)
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| |
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Stibnite |
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Scavnicar S |
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Zeitschrift fur Kristallographie 114 (1960) 85-97 |
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The crystal structure of stibnite. A redetermination of atomic positions |
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Locality: synthetic |
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_database_code_amcsd 0010587 |
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11.25 11.33 3.83 90 90 90 Pbnm |
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atom x y z Biso |
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Sb1 .326 .030 .25 1.47 |
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Sb2 .036 .149 .75 1.47 |
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S1 .879 .054 .25 1.47 |
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S2 .440 .130 .75 1.47 |
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S3 .190 .213 .25 1.47 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Stibnite |
|
Bayliss P, Nowacki W |
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Zeitschrift fur Kristallographie 135 (1972) 308-315 |
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Refinement of the crystal structure of stibnite, Sb2S3 |
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_database_code_amcsd 0010729 |
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11.3107 3.8363 11.2285 90 90 90 Pnma |
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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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Sb1 .0293 .25 .3261 .0030 .0144 .0025 0 .0006 0 |
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Sb2 .1495 .75 .0360 .0027 .0230 .0036 0 .0013 0 |
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S1 .0497 .25 .8769 .0032 .0180 .0027 0 .0004 0 |
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S2 .1251 .75 .4386 .0035 .0177 .0024 0 .0008 0 |
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S3 .2079 .25 .1917 .0031 .0267 .0023 0 .0002 0 |
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View JMOL 3-D Structure (permalink) |
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