用MS构建晶体模型时出错,显示:
Chosen position is within the specified tolerance
(1.0) of a symmetry copy of itself.
Do you wish to continue adding an atom at this position?
点击是就画出错误的晶体结构,
以下是晶体信息:请各位专家指教!谢谢
Phase data
Space-group F d -3 m (227) - cubic
Cell a=8.0821 Å
V=527.93 Å3
Atomic parameters
Atom Ox. Wyck. Site S.O.F. x/a y/b z/c U [Å2]
Co 8a -43m 1/8 1/8 1/8
Co 16d .-3m 1/2 1/2 1/2
O 32e .3m 0.26270 0.26270 0.26270
[ Last edited by myyeah123 on 2010-12-29 at 10:33 ]