American Mineralogist Crystal Structure Database

24 matching records for this search.

Stibnite
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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 #1
_database_code_amcsd 0003549
11.282 3.8296 11.225 90 90 90 Pnma
atom      x   y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47063 .25 .32602 1.22  .0193  .0106  .0164      0 -.0017      0
Sb2  .35061 .75 .03603 1.53  .0181  .0169  .0230      0  .0044      0
S1    .2922 .25  .1918 1.16  .0158  .0146  .0135      0  .0009      0
S2    .5496 .75  .1231 1.20  .0165  .0126  .0166      0  .0016      0
S3    .3748 .75  .4388 1.24  .0219  .0114  .0137      0 -.0028      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003550
11.311 3.8389 11.223 90 90 90 Pnma
atom      x   y      z  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47061 .25 .32595 1.449  .0216  .0147  .0187      0  .0017      0
Sb2  .35059 .75 .03602 1.755  .0210  .0208  .0249      0 -.0043      0
S1   .29214 .25 .19181  1.39  .0204  .0169  .0155      0 -.0011      0
S2    .5498 .75  .1230  1.46  .0209  .0158  .0186      0 -.0023      0
S3    .3751 .75  .4389  1.45  .0228  .0161  .0162      0  .0031      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003551
11.2845 3.8220 11.203 90 90 90 Pnma
atom      x   y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47058 .25 .32599 1.53  .0230  .0173  .0179      0  .0018      0
Sb2  .35060 .75 .03600 1.82  .0226  .0230  .0236      0 -.0044      0
S1    .2918 .25  .1919 1.49   .025   .018  .0137      0 -.0014      0
S2    .5496 .75  .1229 1.56   .024   .017  .0184      0 -.0013      0
S3    .3754 .75  .4389 1.50   .025   .017  .0146      0  .0022      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003552
11.3197 3.8332 11.2330 90 90 90 Pnma
atom      x   y      z  Biso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Sb1  .47065 .25 .32599 1.279  .0181  .0133  .0172      0  .00181      0
Sb2  .35054 .75 .03603 1.587  .0166  .0197  .0240      0 -.00447      0
S1   .29215 .25 .19193  1.27  .0168  .0172  .0144      0  -.0011      0
S2   .54969 .75 .12291  1.27  .0157  .0156  .0169      0  -.0015      0
S3   .37495 .75 .43873  1.28  .0200  .0144  .0143      0   .0024      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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: Sb1.935Bi.065S3
_database_code_amcsd 0003553
11.3122 3.8428 11.221 90 90 90 Pnma
atom      x   y      z  occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47149 .25 .32601 .964 1.406  .0207  .0148  .0180      0 -.0017      0
Bi1  .47149 .25 .32601 .036 1.406  .0207  .0148  .0180      0 -.0017      0
Sb2  .34992 .75 .03608 .972 1.728  .0190  .0216  .0251      0  .0043      0
Bi2  .34992 .75 .03608 .028 1.728  .0190  .0216  .0251      0  .0043      0
S1    .2918 .25  .1919       1.35  .0193  .0173  .0148      0  .0010      0
S2    .5496 .75  .1231       1.32  .0167  .0159  .0176      0  .0018      0
S3    .3751 .75  .4388       1.32  .0200  .0156  .0147      0 -.0018      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003554
11.274 3.8739 11.160 90 90 90 Pnma
atom      x   y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47560 .25 .32610 .796 2.11  .0244  .0269  .0288      0  .0012      0
Bi1  .47560 .25 .32610 .204 2.11  .0244  .0269  .0288      0  .0012      0
Sb2  .34720 .75 .03520 .840 2.30  .0188  .0322  .0365      0 -.0021      0
Bi2  .34720 .75 .03520 .160 2.30  .0188  .0322  .0365      0 -.0021      0
S1    .2898 .25  .1925      2.07   .020   .027   .031      0  -.001      0
S2    .5491 .75  .1252      2.28   .020   .037   .029      0  -.000      0
S3    .3756 .75  .4396      2.33   .023   .035   .031      0   .002      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003555
11.318 3.883 11.226 90 90 90 Pnma
atom      x   y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47440 .25 .32590 .698 2.48  .0270  .0283  .0390      0  .0020      0
Bi1  .47440 .25 .32590 .302 2.48  .0270  .0283  .0390      0  .0020      0
Sb2  .34790 .75 .03550 .786 2.55  .0202  .0325   .044      0 -.0028      0
Bi2  .34790 .75 .03550 .214 2.55  .0202  .0325   .044      0 -.0028      0
S1    .2913 .25  .1924       1.9   .013   .026   .033      0  -.001      0
S2    .5492 .75  .1250       1.7   .013   .023   .028      0  -.003      0
S3    .3754 .75  .4395       2.0   .020   .027   .031      0   .002      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003556
11.309 3.871 11.1876 90 90 90 Pnma
atom      x   y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47430 .25 .32630 .702 1.85  .0262  .0210  .0232      0  .0016      0
Bi1  .47430 .25 .32630 .298 1.85  .0262  .0210  .0232      0  .0016      0
Sb2  .34820 .75 .03520 .762 2.04  .0203  .0259  .0312      0 -.0028      0
Bi2  .34820 .75 .03520 .238 2.04  .0203  .0259  .0312      0 -.0028      0
S1    .2908 .25  .1926      1.40   .018   .018   .017      0  -.000      0
S2    .5492 .75  .1237      1.41   .017   .017   .019      0  -.004      0
S3    .3755 .75  .4395      1.44   .020   .019   .015      0   .002      0
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
Download hom/stibnite.pdf
Kyono A, Kimata M
Download am/vol89/AM89_932.pdf
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
_database_code_amcsd 0003557
11.318 3.8872 11.228 90 90 90 Pnma
atom      x   y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .47530 .25 .32590 .684 2.00  .0345  .0196  .0219      0 -.0022      0
Bi1  .47530 .25 .32590 .316 2.00  .0345  .0196  .0219      0 -.0022      0
Sb2  .34720 .75 .03490 .743 2.16  .0289  .0244  .0286      0  .0027      0
Bi2  .34720 .75 .03490 .257 2.16  .0289  .0244  .0286      0  .0027      0
S1    .2907 .25  .1924      1.75   .028   .021   .017      0   .004      0
S2    .5493 .75  .1243      1.85   .027   .023   .021      0   .002      0
S3    .3754 .75  .4395      1.89   .028   .025   .019      0  -.005      0
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
Download hom/stibnite.pdf
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 = 128 K
_database_code_amcsd 0008633
11.292 3.828 11.205 90 90 90 Pnma
atom      x   y      z Biso
Sb1  .47071 .25 .32575 .565
Sb2  .35057 .75 .03533 .731
S1    .2923 .25  .1914  .62
S2    .5497 .75  .1226  .59
S3    .3748 .75  .4387  .60
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
Download hom/stibnite.pdf
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 = 173 K
_database_code_amcsd 0008634
11.299 3.828 11.214 90 90 90 Pnma
atom      x   y      z Biso
Sb1  .47064 .25 .32581 .725
Sb2  .35058 .75 .03553 .946
S1    .2923 .25  .1916  .76
S2    .5497 .75  .1228  .74
S3    .3748 .75  .4388  .74
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
Download hom/stibnite.pdf
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 = 225 K
_database_code_amcsd 0008635
11.305 3.836 11.223 90 90 90 Pnma
atom      x   y      z  Biso
Sb1  .47062 .25 .32590  .903
Sb2  .35053 .75 .03570 1.159
S1   .29213 .25  .1918   .90
S2   .54985 .75  .1230   .90
S3    .3749 .75  .4387   .90
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
Download hom/stibnite.pdf
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
_database_code_amcsd 0008636
11.314 3.837 11.234 90 90 90 Pnma
atom      x   y      z Biso
Sb1  .47058 .25 .32598 1.26
Sb2  .35058 .75 .03598 1.57
S1    .2922 .25  .1919 1.21
S2    .5498 .75  .1230 1.22
S3    .3751 .75  .4388 1.24
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
Download hom/stibnite.pdf
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 = 0.0001 GPa
_database_code_amcsd 0008825
11.299 3.8313 11.227 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0290 .25 .6738 .0180
Sb2  .3503 .25 .4641 .0218
S1   .0493 .25 .1226 .0150
S2   .3745 .25 .0612 .0152
S3   .2077 .25 .8071 .0154
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
Download hom/stibnite.pdf
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
_database_code_amcsd 0008826
11.098 3.8232 11.091 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0250 .25 .6740 .0146
Sb2  .3468 .25 .4638 .0212
S1   .0529 .25 .1236 .0102
S2   .3767 .25 .0615 .0120
S3   .2098 .25 .8068 .0164
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
Download hom/stibnite.pdf
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
_database_code_amcsd 0008827
11.044 3.8124 11.043 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0242 .25 .6741 .0177
Sb2  .3467 .25 .4636 .0157
S1   .0515 .25 .1246 .0115
S2   .3775 .25 .0612 .0140
S3   .2123 .25 .8066 .0143
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
Download hom/stibnite.pdf
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
10.959 3.8060 10.983 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0223 .25 .6740 .0151
Sb2  .3458 .25 .4636 .0121
S1   .0506 .25 .1254 .0113
S2   .3736 .25 .0607 .0130
S3   .2113 .25 .8056 .0134
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
Download hom/stibnite.pdf
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
10.836 3.7919 10.884 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0193 .25 .6740 .0103
Sb2  .3430 .25 .4634 .0160
S1   .0526 .25 .1258 .0100
S2   .3736 .25 .0605 .0121
S3   .2152 .25 .8037 .0131
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
Download hom/stibnite.pdf
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
10.529 3.7458 10.604 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0119 .25 .6735 .0154
Sb2  .3389 .25 .4632 .0175
S1   .0510 .25 .1270 .0068
S2   .3709 .25 .0606 .0140
S3   .2208 .25 .7994 .0125
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
Download hom/stibnite.pdf
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
10.508 3.7409 10.579 90 90 90 Pnma
atom     x   y     z  Uiso
Sb1  .0120 .25 .6734 .0159
Sb2  .3376 .25 .4631 .0167
S1   .0524 .25 .1271 .0108
S2   .3715 .25 .0601 .0125
S3   .2185 .25 .7992 .0129
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stibnite
Download hom/stibnite.pdf
Caracas R, Gonze X
 
Physics and Chemistry of Minerals 32 (2005) 295-300
First-principles study of the electronic properties of A2B3 minerals,
with A=Bi,Sb and B=S,Se
Note: Hypothetical sulphosalt structure derived from density functional theory
_database_code_amcsd 0008966
11.311 3.836 11.229 90 90 90 Pnma
atom     x   y     z
Sb1  .5293 .25 .1739
Sb2  .6495 .75 .4640
S1   .6251 .75 .0614
S2   .7079 .25 .3083
S3   .4503 .75 .3769
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Stibnite
Download hom/stibnite.pdf
Hofmann W
Download zk/vol86/ZK86_225.pdf
Zeitschrift fur Kristallographie 86 (1933) 225-245
Die struktur der minerale der animonitgruppe
_database_code_amcsd 0010513
11.20 11.28 3.83 90 90 90 Pbnm
atom    x    y   z
Sb1  .328 .031 .25
Sb2  .039 .149 .75
S1   .883 .047 .25
S2   .439 .125 .75
S3   .194 .208 .25
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View JMOL 3-D Structure (permalink)
 
Stibnite
Download hom/stibnite.pdf
Scavnicar S
Download zk/vol114/ZK114_85.pdf
Zeitschrift fur Kristallographie 114 (1960) 85-97
The crystal structure of stibnite. A redetermination of atomic positions
Locality: synthetic
_database_code_amcsd 0010587
11.25 11.33 3.83 90 90 90 Pbnm
atom    x    y   z Biso
Sb1  .326 .030 .25 1.47
Sb2  .036 .149 .75 1.47
S1   .879 .054 .25 1.47
S2   .440 .130 .75 1.47
S3   .190 .213 .25 1.47
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Stibnite
Download hom/stibnite.pdf
Bayliss P, Nowacki W
Download zk/vol135/ZK135_308.pdf
Zeitschrift fur Kristallographie 135 (1972) 308-315
Refinement of the crystal structure of stibnite, Sb2S3
_database_code_amcsd 0010729
11.3107 3.8363 11.2285 90 90 90 Pnma
atom     x   y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sb1  .0293 .25 .3261  .0030  .0144  .0025      0  .0006      0
Sb2  .1495 .75 .0360  .0027  .0230  .0036      0  .0013      0
S1   .0497 .25 .8769  .0032  .0180  .0027      0  .0004      0
S2   .1251 .75 .4386  .0035  .0177  .0024      0  .0008      0
S3   .2079 .25 .1917  .0031  .0267  .0023      0  .0002      0
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 24
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