American Mineralogist Crystal Structure Database

5 matching records for this search.

Proustite
Download hom/proustite.pdf
Hocart R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 205 (1937) 68-70
Schema structural de la proustite et de la pyrargyrite.
_cod_database_code 1011213
_database_code_amcsd 0018082
6.88 6.88 6.88 103.42 103.42 103.42 R3c
atom     x     y     z
As1  .0852 .0852 .0852
Ag1   .633    .5     0
S1    .806  .194     0
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Proustite
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Harker D
 
Journal of Chemical Physics 4 (1936) 381-390
The application of the three-dimensional patterson method and the
crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 SbS3
_cod_database_code 1011161
_database_code_amcsd 0018040
10.74 10.74 8.64 90 90 120 R3c
atom    x    y    z
As1     0    0    0
Ag1  .246 .298 .235
S1    .22 .095 .385
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Proustite
Download hom/proustite.pdf
Allen S
 
Phase Transition 6 (1985) 1-24
Phase transitions in proustite I. Structural studies
Sample: T = 35 K
_database_code_amcsd 0014938
10.767 10.767 8.713 90 90 120 R3c
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)   B(2,3)
Ag   .2483 .2980 .2194 2.84 .008166 .009029 .006454 .009345 .003908 -.000708
As       0     0     0 1.10
S    .2129 .0926 .3743 1.83
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Proustite
Download hom/proustite.pdf
Allen S
 
Phase Transition 6 (1985) 1-24
Phase transitions in proustite I. Structural studies
Sample: T = 63 K
_database_code_amcsd 0014939
10.768 10.768 8.720 90 90 120 R3c
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ag   .2478 .2973 .2192 3.11 .008941 .009027 .008022 .010982 .004673 .000123
As       0     0     0 1.40
S    .2119 .0929 .3763 1.88
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View JMOL 3-D Structure (permalink)
 
Proustite
Download hom/proustite.pdf
Allen S
 
Phase Transition 6 (1985) 1-24
Phase transitions in proustite I. Structural studies
Sample: T = 300 K
Note: calculated Ag-S bondlengths do not match those reported
_database_code_amcsd 0014940
10.825 10.825 8.704 90 90 120 R3c
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ag   .2438 .3035 .2311 6.96 .028048 .014849 .027653 .011919 .001409 .008548
As       0     0     0 2.34 .004950 .004950 .010032 .002475       0       0
S    .2127 .0925 .3760 2.59 .006287 .007311 .013629 .002788 .002359 .001961
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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