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ljh-000

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[求助] 求助纤锌矿结构GaN 各原子坐标是多少?

求助纤锌矿结构GaN 各原子坐标是多少?
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pengjiutian

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gzqdyouxia(金币+2): 谢谢指导 2011-08-04 20:32:55
Cell parameters         a = 0.31891 nm, b = 0.31891 nm, c = 0.51855 nm,
α = 90 °, β = 90 °, γ = 120 °
Cell volume         0.0457 nm3
Cell density (calculated)         6.09 Mg m-3
Z         2
Atom coordinates
No         Site notation         Atom         Multiplicity         Wyckoff         Site symmetry         x         y         z         Occupancy
1         N1         N         2         b         3m.         1/3         2/3         0.0         1.0
2         Ga1         Ga         2         b         3m.         1/3         2/3         0.381         1.0
2楼2011-08-03 22:07:55
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