[Wien] Reg: Spinel structure generation

[Loukya Chowdary B]

Dear Sir,
 
               I am facing problem in generating NiCo2O4
spinel structure in wien2k11 using w2web. The oxygen and Co positions
are found to overlap.
 
Please correct me, if the parameters I am inputting are not correct.

    Space group: Fd-3m (227)
   
    a = 8.083 A
   
    Ni: (0,0,0)
    Co: (5/8, 5/8, 5/8)
    O  : (0.38672, 0.38672, 0.38672)

Thank you,
B Loukya Chowdary,
Jawaharlal Nehru Centre for Advanced Scientific Research,
Bangalore, INDIA

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