American Mineralogist Crystal Structure Database

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Theophrastite
Download hom/theophrastite.pdf
Wyckoff R W G
Crystal Structures 1 (1963) 239-444
Second edition. Interscience Publishers, New York, New York
Note: cadmium iodide structure
_database_code_amcsd 0011791
3.117 3.117 4.595 90 90 120 P-3m1
atom   x   y   z
Ni     0   0   0
OH   1/3 2/3 .25
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