[Wien] Query regarding same structure with different symmetry

[shamik chakrabarti]

Dear Wien2k users,
                               Please pardon me for asking a question which
may not directly linked to wien2k. I have two structures of Li3Co2SbO6
(attached with this mail), one from experiment & another from DFT
simulation. The experimental structure is monoclinic with angle
Beta=110.082 degree. To simulate this monoclinic structure I have to make
the following changes using Vesta; b to c, c to b, & angle Gamma= 125.318
degree. My query is; how the value of angle different from 90 degree
changes from 110.082 degree to 125.318 degree? Could you suggest the
symmetry operation required to change this value?

Looking forward to your reply.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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