American Mineralogist Crystal Structure Database

23 matching records for this search.

Bismuthinite
Download hom/bismuthinite.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: Sb.910Bi1.090S3
_database_code_amcsd 0003558
11.256 3.8966 11.205 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 .47868 .25 .32581 .426 1.76  .0289  .0189  .0189      0  .0019      0
Bi1 .47868 .25 .32581 .574 1.76  .0289  .0189  .0189      0  .0019      0
Sb2 .34476 .75 .03390 .484 1.83  .0213  .0229  .0253      0 -.0022      0
Bi2 .34476 .75 .03390 .516 1.83  .0213  .0229  .0253      0 -.0022      0
S1   .2872 .25  .1929      1.35   .018   .019   .014      0  -.005      0
S2   .5491 .75  .1276      1.35   .016   .020   .015      0   .001      0
S3   .3746 .75  .4410      1.51   .022   .019   .017      0   .008      0
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Bismuthinite
Download hom/bismuthinite.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: Sb0.387Bi1.613S3
_database_code_amcsd 0003559
11.336 3.9562 11.186 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  .48158 .25 .32569 .178 1.71  .0307  .0154  .0190      0  .0023      0
Bi1  .48158 .25 .32569 .822 1.71  .0307  .0154  .0190      0  .0023      0
Sb2  .34232 .75 .03411 .210 1.82  .0256  .0199  .0236      0 -.0011      0
Bi2  .34232 .75 .03411 .790 1.82  .0256  .0199  .0236      0 -.0011      0
S1    .2850 .25  .1939      1.30   .024   .015   .011      0  -.003      0
S2    .5495 .75  .1287      1.37   .021   .016   .015      0  -.003      0
S3    .3756 .75  .4415      1.60   .028   .020   .014      0   .001      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.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: Sb0.362Bi1.638S3
_database_code_amcsd 0003560
11.310 3.9526 11.119 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  .48127 .25 .32580 .166 1.38  .0184  .0145  .0194      0  .0029      0
Bi1  .48127 .25 .32580 .834 1.38  .0184  .0145  .0194      0  .0029      0
Sb2  .34257 .75 .03429 .196 1.49  .0131  .0194  .0240      0 -.0017      0
Bi2  .34257 .75 .03429 .804 1.49  .0131  .0194  .0240      0 -.0017      0
S1    .2862 .25  .1931      0.96   .007   .016   .014      0   .001      0
S2    .5494 .75  .1275      1.04   .011   .016   .013      0   .000      0
S3    .3762 .75  .4411      1.14   .011   .019   .014      0   .002      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.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: Sb0.320Bi1.680S3
_database_code_amcsd 0003561
11.3180 3.9547 11.1631 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  .48165 .25 .32575 .144 1.310  .0198  .0136  .0163      0  .0027      0
Bi1  .48165 .25 .32575 .856 1.310  .0198  .0136  .0163      0  .0027      0
Sb2  .34226 .75 .03421 .176 1.396  .0146  .0178  .0206      0 -.0014      0
Bi2  .34226 .75 .03421 .824 1.396  .0146  .0178  .0206      0 -.0014      0
S1    .2850 .25  .1937        .96  .0122  .0158  .0086      0 -.0018      0
S2    .5496 .75  .1279        .89  .0130  .0123  .0085      0  .0015      0
S3    .3759 .75  .4414       1.08  .0143  .0161  .0107      0  .0020      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.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 0003562
11.316 3.9709 11.178 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)
Bi1  .48339 .25 .32581 1.46  .0215  .0164  .0175      0 -.0034      0
Bi2  .34069 .75 .03429 1.58  .0184  .0213  .0204      0  .0012      0
S1    .2854 .25  .1941 1.12   .016   .013   .013      0  -.002      0
S2    .5500 .75  .1284 1.32   .018   .019   .014      0   .001      0
S3    .3756 .75  .4423 1.27   .017   .018   .013      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)
 
Bismuthinite
Download hom/bismuthinite.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 0003563
11.345 3.994 11.193 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)
Bi1  .4835 .25 .3257 1.47  .0199  .0150  .0208      0  .0040      0
Bi2  .3407 .75 .0339 1.50  .0158  .0192  .0221      0 -.0018      0
S1   .2835 .25 .1943  1.1   .013   .016   .013      0  -.004      0
S2   .5495 .75 .1286  1.2   .017   .015   .014      0   .003      0
S3   .3767 .75 .4414  1.0   .012   .016   .009      0   .003      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)
 
Bismuthinite
Download hom/bismuthinite.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 0003564
11.3540 3.9911 11.188 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)
Bi1  .4833 .25 .3256 1.30  .0216  .0107  .0172      0 -.0023      0
Bi2  .3408 .75 .0341 1.42  .0192  .0150  .0199      0  .0012      0
S1   .2829 .25 .1920   .9   .014   .016   .003      0   .004      0
S2   .5492 .75 .1287   .9   .010   .012   .014      0  -.003      0
S3   .3752 .75 .4425   .8   .011   .014   .005      0  -.001      0
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.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 0008968
11.305 3.981 11.147 90 90 90 Pnma
atom     x   y     z
Bi1  .5165 .25 .1748
Bi2  .6596 .75 .4655
S1   .6230 .75 .0575
S2   .7153 .25 .3063
S3   .4508 .75 .3730
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View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity
of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = .0001 GPa
_database_code_amcsd 0009004
11.269 3.9717 11.129 90 90 90 Pnma
atom     x   y     z  Uiso
Bi1  .0164 .25 .6745 .0204
Bi2  .3406 .25 .4661 .0210
S1   .0494 .25 .1311  .019
S2   .3773 .25 .0604  .022
S3   .2165 .25 .8069  .019
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = .97 GPa
_database_code_amcsd 0009005
11.136 3.9574 11.035 90 90 90 Pnma
atom     x   y     z  Uiso
Bi1  .0123 .25 .6746 .0192
Bi2  .3381 .25 .4658 .0223
S1   .0503 .25 .1266  .014
S2   .3742 .25 .0603  .016
S3   .2171 .25 .8062  .018
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 2.43 GPa
_database_code_amcsd 0009006
10.987 3.9353 10.903 90 90 90 Pnma
atom     x   y     z  Uiso
Bi1  .0077 .25 .6744 .0168
Bi2  .3347 .25 .4660 .0200
S1   .0526 .25 .1294  .015
S2   .3744 .25 .0591  .017
S3   .2200 .25 .8033  .015
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 3.53 GPa
_database_code_amcsd 0009007
10.907 3.9191 10.822 90 90 90 Pnma
atom     x   y     z  Uiso
Bi1  .0049 .25 .6744 .0173
Bi2  .3331 .25 .4663 .0209
S1   .0527 .25 .1280  .012
S2   .3737 .25 .0610  .014
S3   .2211 .25 .8026  .021
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 5.92 GPa
_database_code_amcsd 0009008
10.758 3.8833 10.650 90 90 90 Pnma
atom      x   y     z  Uiso
Bi1  -.0004 .25 .6744 .0161
Bi2   .3292 .25 .4668 .0182
S1    .0523 .25 .1297  .014
S2    .3754 .25 .0599  .015
S3    .2207 .25 .7983  .012
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Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 7.22 GPa
_database_code_amcsd 0009009
10.701 3.8655 10.565 90 90 90 Pnma
atom      x   y     z  Uiso
Bi1  -.0029 .25 .6744 .0160
Bi2   .3275 .25 .4674 .0177
S1    .0493 .25 .1296  .011
S2    .3745 .25 .0607  .016
S3    .2232 .25 .7990  .013
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Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 8.30 GPa
_database_code_amcsd 0009010
10.659 3.8525 10.510 90 90 90 Pnma
atom      x   y     z  Uiso
Bi1  -.0046 .25 .6746 .0157
Bi2   .3263 .25 .4674 .0167
S1    .0534 .25 .1301  .012
S2    .3752 .25 .0613  .014
S3    .2225 .25 .7966  .015
Download AMC data (View Text File)
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Bismuthinite
Download hom/bismuthinite.pdf
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
 
Physics and Chemistry of Minerals 32 (2005) 578-584
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
Locality: synthetic
Sample: P = 9.18 GPa
_database_code_amcsd 0009011
10.634 3.8423 10.463 90 90 90 Pnma
atom      x   y     z  Uiso
Bi1  -.0056 .25 .6748 .0155
Bi2   .3253 .25 .4677 .0171
S1    .0529 .25 .1296  .013
S2    .3724 .25 .0602  .015
S3    .2223 .25 .7963  .013
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Bismuth
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Wyckoff R W G
 
Crystal Structures 1 (1963) 7-83
Second edition. Interscience Publishers, New York, New York
_database_code_amcsd 0011254
4.7459 4.7459 4.7459 57.237 57.237 57.237 R-3m
atom    x    y    z
Bi   .237 .237 .237
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Bismuth
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Schiferl D, Barrett CS
 
Journal of Applied Crystallography 2 (1969) 30-36
The crystal structure of arsenic at 4.2, 78 and 299 K
Sample: T = 4.2 K
_database_code_amcsd 0012839
4.5330 4.5330 11.797 90 90 120 R-3m
atom x y      z
Bi   0 0 .23407
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Bismuth
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Schiferl D, Barrett CS
 
Journal of Applied Crystallography 2 (1969) 30-36
The crystal structure of arsenic at 4.2, 78 and 299 K
Sample: T = 78 K
_database_code_amcsd 0012840
4.5350 4.5350 11.814 90 90 120 R-3m
atom x y      z
Bi   0 0 .23400
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Bismuth
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Schiferl D, Barrett CS
 
Journal of Applied Crystallography 2 (1969) 30-36
The crystal structure of arsenic at 4.2, 78 and 299 K
Sample: T = 298 K
_database_code_amcsd 0012841
4.5460 4.5460 11.862 90 90 120 R-3m
atom x y      z
Bi   0 0 .23389
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View JMOL 3-D Structure (permalink)
 
Bismuth
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Straumanis M E
 
Journal of Applied Physics 20 (1949) 726-734
The precision determination of lattice constants by the powder and rotation
crystal methods and applications
Locality: synthetic
Sample: at T = 25 C
_database_code_amcsd 0012876
4.53674 4.53674 5.19983 90 90 120 P6_3/mmc
atom   x   y   z
Bi   1/3 2/3 .25
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Bismuth
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Jette E R, Foote F
 
Journal of Chemical Physics 3 (1935) 605-616
Precision determination of lattice constants
Locality: synthetic
Sample: at T = 25 C
Note: lattice parameter is average of three samples
_database_code_amcsd 0012943
4.5372 4.5372 11.8381 90 90 120 P6_3/mmc
atom   x   y   z
Bi   1/3 2/3 .25
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Bismuth
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Davey W P
 
Physical Review 25 (1925) 753-761
Lattice constants of twelve common metals
Locality: synthetic
Note: lattice parameter is average of runs 1 & 2
_database_code_amcsd 0015135
4.539 4.539 11.829 90 90 120 P6_3/mmc
atom   x   y   z
Bi   1/3 2/3 .25
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Total number of retrieved datasets: 23
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