American Mineralogist Crystal Structure Database

8 matching records for this search.

Marshite
Download hom/marshite.pdf
Cooper M A, Hawthorne F C
Download cm/vol35/CM35_785.pdf
The Canadian Mineralogist 35 (1997) 785-786
A note on the crystal structure of marshite
Note: ZnS structure, sphalerite structure
_database_code_amcsd 0005529
6.063 6.063 6.063 90 90 90 F-43m
atom   x   y   z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu   .25 .25 .25  .0336  .0336  .0336      0      0      0
I      0   0   0  .0194  .0194  .0194      0      0      0
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Marshite
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Wyckoff R W G
 
Crystal Structures 1 (1963) 85-237
Second edition. Interscience Publishers, New York, New York
Note: ZnS structure, sphalerite structure
_database_code_amcsd 0011522
6.0427 6.0427 6.0427 90 90 90 F-43m
atom   x   y   z
Cu     0   0   0
I    .25 .25 .25
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Marshite
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Wyckoff R, Posnjak E
 
Journal of the American Chemical Society 44 (1922) 30-36
The crystal structures of the cuprous halides
_cod_database_code 1011239
_database_code_amcsd 0018105
6.1 6.1 6.1 90 90 90 F-43m
atom   x   y   z
Cu1    0   0   0
I1   .25 .25 .25
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Marshite
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Hull S, Keen D A
 
Physical Review B50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 0 GPa
Note: ZnS structure, sphalerite structure
Note: known as CuI-III
_database_code_amcsd 0015180
6.0545 6.0545 6.0545 90 90 90 F-43m
atom   x   y   z Biso
Cu     0   0   0 2.86
I    .25 .25 .25 1.77
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Marshite
Download hom/marshite.pdf
Hull S, Keen D A
 
Physical Review B50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 1.74 GPa
Note: known as CuI-IV
_database_code_amcsd 0015181
4.155 4.155 20.48 90 90 120 R-3m
atom x y     z Biso
Cu   0 0 .1293  3.5
I1   0 0     0  1.5
I2   0 0    .5  1.5
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Marshite
Download hom/marshite.pdf
Hull S, Keen D A
 
Physical Review B50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 3.60 GPa
Note: known as CuI-IV
_database_code_amcsd 0015182
4.0826 4.0826 20.077 90 90 120 R-3m
atom x y     z Biso
Cu   0 0 .1282 2.27
I1   0 0     0 1.54
I2   0 0    .5 1.54
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Marshite
Download hom/marshite.pdf
Hull S, Keen D A
 
Physical Review B50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 5.55 GPa
Note: known as CuI-V
_database_code_amcsd 0015183
4.0229 4.0229 5.6506 90 90 90 P4/nmm
atom x  y     z Biso
Cu   0  0     0 1.32
I    0 .5 .2913 0.75
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Marshite
Download hom/marshite.pdf
Hull S, Keen D A
 
Physical Review B50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 8.39 GPa
Note: known as CuI-V
_database_code_amcsd 0015184
3.9680 3.9680 5.5284 90 90 90 P4/nmm
atom x  y     z Biso
Cu   0  0     0 0.94
I    0 .5 .2975 0.62
Download AMC data (View Text File)
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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: 8
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