Marshite
Cooper M A, Hawthorne F C
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
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
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
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
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
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
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
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
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